Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3946465 | 1.00 | NPC1 (0.43) | NPC1RAB9AKMT2ASLC5A2CES2 | |
| SCHEMBL1948051 | 1.00 | NPC1 (0.43) | NPC1RAB9AKMT2ASLC5A2CES2 | |
| SCHEMBL11167377 | 0.82 | CES2 (0.46) | NPC1RAB9AKMT2ASLC5A2CES2 | |
| SCHEMBL15195461 | 0.81 | CES2 (0.44) | NPC1RAB9AKMT2ASLC5A2CES2 | |
| SCHEMBL4440609 | 0.77 | NPC1 (0.57) | NPC1RAB9AKMT2ASLC5A2CES2 | |
| SCHEMBL2251571 | 0.75 | — | — | |
| SCHEMBL5245778 | 0.75 | — | — | |
| SCHEMBL5246407 | 0.75 | — | — | |
| SCHEMBL6306864 | 0.74 | — | — | |
| SCHEMBL7296321 | 0.74 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102643879-B | Method for preparing duloxetine chiral intermediate through microbial conversion | ZHEJIANG JIUZHOU PHARM CO LTD | 2015-02-11 | — | — | CN | claimed |
| CN-102643879-A | Method for preparing duloxetine chiral intermediate through microbial conversion | ZHEJIANG JIUZHOU PHARM CO LTD | 2012-08-22 | — | — | CN | claimed |
| CN-102199637-A | Method for preparing (S)-3-hydroxyl-3-(2-thienyl)-propionitrile by microbial transformation | UNIV ZHEJIANG TECHNOLOGY | 2011-09-28 | — | — | CN | claimed |
| US-7435563-B2 | Method for the production of (s)-3-methylamino-1-(thien-2-yl)propan-1-ol | BASF AKTIENGESELLSCHAFT (DE) | 2008-10-14 | — | — | US | claimed |
| EP-1527065-B1 | METHOD FOR THE PRODUCTION OF (S)-3-METHYLAMINO-1-(THIEN-2-YL)PROPAN-1-OL | BASF AG (DE) | 2006-11-22 | — | — | EP | claimed |
| US-7045341-B2 | Chemoenzymatic process for stereoselective preparation of R and S enatiomers of 2-hydroxy-3-(2-thienyl) propanenitrile | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2006-05-16 | — | — | US | claimed |
| US-20050245749-A1 | Method for the production of (s)-3-methylamino-1-(thien-2-yl)propan-1-ol | BASF AKTIENGESELLSCHAFT (DE) | 2005-11-03 | — | — | US | claimed |
| CN-1497048-A | Method for preparing 3-heteroarylradical-3-hydroxy-propionic acid derivative | 拜尔公司 | 2004-05-19 | — | — | CN | claimed |
| EP-1405917-A2 | Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction | Bayer Chemicals AG (DE) | 2004-04-07 | — | — | EP | claimed |
| CN-105039361-B | Carbonyl reduction enzyme gene, codase, carrier, bacterial strain and application | 浙江工业大学 | 2019-08-30 | — | — | CN | disclosed |
| CN-105039361-B | Carbonyl reduction enzyme gene, codase, carrier, bacterial strain and application | 浙江工业大学 | 2019-08-30 | — | — | CN | disclosed |
| CN-105039361-A | Carbonyl reductase gene, codase, vector, strain and application of gene | UNIV ZHEJIANG TECHNOLOGY | 2015-11-11 | — | — | CN | disclosed |
| CN-105039361-A | Carbonyl reductase gene, codase, vector, strain and application of gene | UNIV ZHEJIANG TECHNOLOGY | 2015-11-11 | — | — | CN | disclosed |
| CN-102643879-B | Method for preparing duloxetine chiral intermediate through microbial conversion | ZHEJIANG JIUZHOU PHARM CO LTD | 2015-02-11 | — | — | CN | disclosed |
| WO-2005033094-A2 | METHODS FOR THE PRODUCTION OF 3-METHYLAMINO-1-(THIENE-2-YL)-PROPANE-1-OL | BASF AKTIENGESELLSCHAFT (DE) | 2005-04-14 | — | — | WO | disclosed |
| US-20040181058-A1 | Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives | LANXESS DEUTSCHLAND GMBH (DE) | 2004-09-16 | — | — | US | disclosed |
| CN-1497048-A | Method for preparing 3-heteroarylradical-3-hydroxy-propionic acid derivative | 拜尔公司 | 2004-05-19 | — | — | CN | disclosed |
| EP-1405917-A2 | Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction | Bayer Chemicals AG (DE) | 2004-04-07 | — | — | EP | disclosed |
| WO-2004013123-A1 | METHOD FOR THE PRODUCTION OF (S)-3-METHYLAMINO-1-(THIEN-2-YL)PROPAN-1-OL | BASF AKTIENGESELLSCHAFT (DE) | 2004-02-12 | — | — | WO | disclosed |
| US-20030225274-A1 | Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives | LANXESS DEUTSCHLAND GMBH (DE) | 2003-12-04 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050245749-A1 | Method for the production of (s)-3-methylamino-1-(thien-2-yl)propan-1-ol | INMT, PNMT, TH | NPC1 3649/4885RAB9A 4672/4885KMT2A 478/4885 |
| US-20040181058-A1 | Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives | HPD, HAAO, GRHPR | NPC1 1532/4885RAB9A 3383/4885KMT2A 1997/4885 |
| US-20030225274-A1 | Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives | GRHPR, HPD, HAAO | NPC1 2400/4885RAB9A 3428/4885KMT2A 1666/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.