Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.35 |
| ▸ | ERN1 | O75460 | 2/20 | 0.35 |
| ▸ | PON1 | P27169 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | F2RL3 | Q96RI0 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | NQO1 | P15559 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MGAM | O43451 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9550366 | 0.78 | CYP2A6 (0.52) | CYP2A6MAOBALDH1A1KMT2AMAOA | |
| SCHEMBL5770837 | 0.76 | CYP2A6 (0.38) | CYP2A6MCL1ERN1MAOBALDH1A1 | |
| SCHEMBL19519553 | 0.73 | HSD17B3 (0.49) | MCL1PON1KMT2AADORA2ANQO1 | |
| SCHEMBL7619576 | 0.73 | GPR55 (0.39) | CYP2A6ERN1GAACSNK2A2CSNK2B | |
| SCHEMBL21230505 | 0.72 | CYP2A6 (0.40) | CYP2A6ERN1MAOBALDH1A1KMT2A | |
| SCHEMBL12510078 | 0.71 | F2RL3 (0.39) | CYP2A6MCL1PON1MAOBF2RL3 | |
| SCHEMBL14395696 | 0.69 | CYP2A6 (0.38) | CYP2A6 | |
| SCHEMBL6292875 | 0.69 | MCL1 (0.49) | MCL1F2RL3ALDH1A1KMT2AKDM4E | |
| SCHEMBL8750107 | 0.68 | ALDH1A1 (0.48) | CYP2A6MCL1PON1MAOBALDH1A1 | |
| SCHEMBL7133958 | 0.68 | CSNK2A2 (0.33) | CYP2A6ERN1MAOBALDH1A1CYP1A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2007726-B1 | BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS | HOFFMANN LA ROCHE (CH) | 2011-03-02 | — | — | EP | disclosed |
| US-7674815-B2 | Heteroaryl and benzyl amide compounds | HOFFMANN-LA ROCHE INC. (US) | 2010-03-09 | — | — | US | disclosed |
| EP-2007726-A2 | BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-12-31 | — | — | EP | disclosed |
| WO-2007090749-A2 | BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-08-16 | — | — | WO | disclosed |
| US-20070185113-A1 | Heteroaryl and benzyl amide compounds | HOFFMANN-LA ROCHE INC. | 2007-08-09 | — | — | 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 (1 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-20070185113-A1 | Heteroaryl and benzyl amide compounds | CYP2C19, CYP2C9, CYP3A43 | CYP2A6 30/4885MCL1 2283/4885ERN1 2846/4885 |
“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.