Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9605247 | 0.79 | ACHE (0.58) | ACHECA1CA2CA7CA9 | |
| SCHEMBL4676751 | 0.79 | CHRM2 (0.40) | ACHECA1CA2CA7CA9 | |
| SCHEMBL6603586 | 0.75 | CA1 (0.50) | ACHECA1CA2CA7CA9 | |
| 1,3-Dimethoxybenzene SCHEMBL28262290 | 0.73 | ACHE (0.67) | ACHECA1CA2CA7CA9 | |
| SCHEMBL18644115 | 0.73 | ACHE (0.45) | ACHECA1CA2CA7CA9 | |
| SCHEMBL45693 | 0.73 | ACHE (0.56) | ACHECA1CA2CA7CA9 | |
| 1,3-Dimethoxybenzene SCHEMBL9350 | 0.71 | ACHE (0.70) | ACHECA1CA2CA7CA9 | |
| 1,3-Dimethoxybenzene SCHEMBL901285 | 0.71 | ACHE (0.70) | ACHECA1CA2CA7CA9 | |
| 1,3-Dimethoxybenzene SCHEMBL7860661 | 0.69 | ACHE (0.67) | ACHECA1CA2CA7CA9 | |
| 1,3-Dimethoxybenzene SCHEMBL28343465 | 0.69 | ACHE (0.67) | ACHECA1CA2CA7CA9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1417190-A1 | SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR | Amgen Inc. (US) | 2004-05-12 | — | — | EP | claimed |
| WO-2003009850-A1 | SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR | AMGEN INC. (US) | 2003-02-06 | — | — | WO | claimed |
| EP-1417190-A1 | SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR | Amgen Inc. (US) | 2004-05-12 | — | — | EP | disclosed |
| WO-2003009850-A1 | SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR | AMGEN INC. (US) | 2003-02-06 | — | — | WO | disclosed |