Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | MGAM | O43451 | 1/20 | 0.43 |
| ▸ | SI | P14410 | 1/20 | 0.43 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | APLNR | P35414 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9176308 | 0.85 | CA2 (0.43) | GAAMEN1KMT2ACA12CA2 | |
| SCHEMBL7048960 | 0.83 | CA12 (0.54) | GAAMEN1TSHRKMT2ACA12 | |
| SCHEMBL1936376 | 0.83 | ALDH1A1 (0.52) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL13878757 | 0.83 | CTSK (0.49) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL7434068 | 0.83 | GAA (0.52) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL402057 | 0.81 | GAA (0.50) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL22660133 | 0.80 | CTSK (0.45) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL3403411 | 0.79 | APLNR (0.49) | CYP1A2CYP2C9CYP2C19HTTGAA | |
| SCHEMBL8704463 | 0.78 | GAA (0.44) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL6355605 | 0.77 | GAA (0.54) | CYP1A2CYP2C9CYP2C19HTTCTSK |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109111371-B | Preparation method of hydrazino ethyl acetate hydrochloride | 江西万里药业有限公司 | 2021-08-06 | — | — | CN | claimed |
| WO-2011006158-A2 | TARGETING NAD BIOSYNTHESIS IN BACTERIAL PATHOGENS | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2011-01-13 | — | — | WO | claimed |
| CN-109111371-B | Preparation method of hydrazino ethyl acetate hydrochloride | 江西万里药业有限公司 | 2021-08-06 | — | — | CN | disclosed |
| US-20190055283-A1 | AZA-PEPTIDE ALDEHYDES AND KETONES | OHIO STATE INNOVATION FOUNDATION | 2019-02-21 | — | — | US | disclosed |
| US-8785499-B2 | Targeting NAD biosynthesis in bacterial pathogens | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2014-07-22 | — | — | US | disclosed |
| US-8785499-B2 | Targeting NAD biosynthesis in bacterial pathogens | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2014-07-22 | — | — | US | disclosed |
| WO-2013062881-A1 | PROCESS FOR MAKING BETA 3 AGONISTS AND INTERMEDIATES | MERCK SHARP & DOHME CORP. (US) | 2013-05-02 | — | — | WO | disclosed |
| EP-1799653-B1 | Condensed thienopyrimidine derivatives for the treatment of cancer | BAYER IP GMBH (DE) | 2013-03-20 | — | — | EP | disclosed |
| US-20120190708-A1 | TARGETING NAD BIOSYNTHESIS IN BACTERIAL PATHOGENS | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2012-07-26 | — | — | US | disclosed |
| US-20120190708-A1 | TARGETING NAD BIOSYNTHESIS IN BACTERIAL PATHOGENS | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2012-07-26 | — | — | US | disclosed |
| US-8207172-B2 | Pyrimidinothienoindazoles useful for the treatment of hyperproliferative disorders | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2012-06-26 | — | — | US | disclosed |
| US-20110172224-A1 | NOVEL HETEROCYCLES | BAYER PHARMACEUTICALS CORPORATION (US) | 2011-07-14 | — | — | US | disclosed |
| WO-2011006158-A2 | TARGETING NAD BIOSYNTHESIS IN BACTERIAL PATHOGENS | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2011-01-13 | — | — | WO | disclosed |
| US-20100152098-A1 | POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF | MPEX PHARMACEUTICALS, INC. (US) | 2010-06-17 | — | — | 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 (4 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-20100152098-A1 | POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF | ABCB11, ABCB1, SLC47A1 | CYP1A2 3966/4885CYP2C9 3081/4885CYP2C19 3028/4885 |
| US-20110172224-A1 | NOVEL HETEROCYCLES | CCNI, PCNA, CCNA1 | CYP1A2 240/4885CYP2C9 2231/4885CYP2C19 495/4885 |
| US-20120190708-A1 | TARGETING NAD BIOSYNTHESIS IN BACTERIAL PATHOGENS | NAMPT, NAPRT, NADK | CYP1A2 2285/4885CYP2C9 2573/4885CYP2C19 2699/4885 |
| US-20190055283-A1 | AZA-PEPTIDE ALDEHYDES AND KETONES | VIP, DNPEP, PEPD | CYP1A2 1714/4885CYP2C9 1546/4885CYP2C19 1112/4885 |
“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.