Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | CTRC | Q99895 | 2/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ALPL | P05186 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1560829 | 0.96 | CYP2A6 (0.50) | CYP2A6CSNK2A1CYP1A2BACE1CTRC | |
| SCHEMBL2093448 | 0.83 | CYP2A6 (0.54) | CYP2A6CSNK2A1CYP1A2BACE1CTRC | |
| SCHEMBL21723073 | 0.83 | AHR (0.42) | CYP2A6CYP1A2ALDH1A1HSD17B10NPC1 | |
| SCHEMBL27555403 | 0.81 | CYP2A6 (0.52) | CYP2A6CSNK2A1CYP1A2BACE1CTRC | |
| SCHEMBL27707558 | 0.80 | TDO2 (0.40) | NPC1RAB9ATP53SMN1; SMN2MAOB | |
| SCHEMBL4420759 | 0.80 | CYP2A6 (0.44) | CYP2A6HSD11B1ALDH1A1HPGDHSD17B10 | |
| SCHEMBL618853 | 0.79 | BACE1 (0.39) | CYP2A6BACE1ALDH1A1HPGDHSD17B10 | |
| SCHEMBL8036356 | 0.79 | MAPK1 (0.33) | CYP2A6CYP1A2ALDH1A1TP53CYP3A4 | |
| SCHEMBL27707568 | 0.77 | MAPK10 (0.39) | CYP1A2ALDH1A1HPGDHSD17B10NPC1 | |
| SCHEMBL1691864 | 0.77 | CYP2A6 (0.47) | CYP2A6CYP1A2ALDH1A1HPGDHSD17B10 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102459167-B | Azetidinyl diamides as monoacylglycerol lipase inhibitors | JANSSEN PHARMACEUTICA NV | 2015-04-01 | — | — | CN | claimed |
| CN-115950965-A | Non-targeted screening and identification method for effect component in organic component of atmospheric fine particulate matter | 山西大学 | 2023-04-11 | — | — | CN | disclosed |
| CN-102459167-B | Azetidinyl diamides as monoacylglycerol lipase inhibitors | JANSSEN PHARMACEUTICA NV | 2015-04-01 | — | — | CN | disclosed |
| EP-2684871-A1 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives | F. Hoffmann-La Roche AG (CH) | 2014-01-15 | — | — | EP | disclosed |
| US-8513425-B2 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof | ROCHE PALO ALTO LLC (US) | 2013-08-20 | — | — | US | disclosed |
| CN-101563319-B | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives | HOFFMANN LA ROCHE | 2012-09-05 | — | — | CN | disclosed |
| US-8084623-B2 | heterocyclic ketones such as (3-Benzyl-pyrrolidin-3-yl)-(1H-indol-5-yl)-methanone, used as antidepressants or anxiolytic agents | ROCHE PALO ALTO LLC (US) | 2011-12-27 | — | — | US | disclosed |
| CN-101563319-A | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives | HOFFMANN LA ROCHE (CH) | 2009-10-21 | — | — | CN | disclosed |
| EP-2102157-A1 | HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2009-09-23 | — | — | EP | disclosed |
| US-7449477-B2 | 7-phenyl-isoquinoline-5-sulfonylamino derivatives as inhibitors of akt (protein kinase B) | ELI LILLY AND COMPANY (US) | 2008-11-11 | — | — | US | disclosed |
| WO-2008074703-A1 | HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-06-26 | — | — | WO | disclosed |
| US-20080146607-A1 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof | ROCHE PALO ALTO LLC | 2008-06-19 | — | — | US | disclosed |
| CN-100391943-C | Prepn. of 3-position substituted indole derivative | UNIV ZHEJIANG (CN) | 2008-06-04 | — | — | CN | disclosed |
| US-20070037796-A1 | e.g. 7-Phenyl-isoquinoline-5-sulfonic acid {2-[3 -(4-nitrophenyl)-propylamino]-ethyl}-amide, dihydrochloride salt; antiviral, antineoplastic, anticarcinogenic agents; neoplasms | ELI LILLY AND COMPANY | 2007-02-15 | — | — | US | disclosed |
| CN-1834089-A | Prepn. of 3-position substituted indole derivative | UNIV ZHEJIANG (CN) | 2006-09-20 | — | — | CN | 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 (2 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-20080146607-A1 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof | CNKSR1, RB1, AR | CYP2A6 386/4885CSNK2A1 997/4885CYP1A2 67/4885 |
| US-20070037796-A1 | e.g. 7-Phenyl-isoquinoline-5-sulfonic acid {2-[3 -(4-nitrophenyl)-propylamino]-ethyl}-amide, dihydrochloride salt; antiviral, antineoplastic, anticarcinogenic agents; neoplasms | POLI, HRAS, CHUK | CYP2A6 2400/4885CSNK2A1 1123/4885CYP1A2 3301/4885 |
“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.