Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | CCNC | P24863 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL8540221 | 1.00 | TRPA1 (0.47) | TRPA1TSHRMAPK1LMNAPTBP1 | |
| SCHEMBL27852341 | 0.98 | TRPA1 (0.48) | TRPA1TSHRMAPK1LMNAPTBP1 | |
| SCHEMBL28149189 | 0.93 | TRPA1 (0.53) | TRPA1TSHRMAPK1LMNAPTBP1 | |
| SCHEMBL8540152 | 0.83 | CHRNB2 (0.47) | CYP3A4CYP2D6CYP2C19MEN1KMT2A | |
| SCHEMBL8542500 | 0.83 | CHRNB2 (0.47) | CYP3A4CYP2D6CYP2C19MEN1KMT2A | |
| SCHEMBL8540149 | 0.83 | CHRNB2 (0.47) | CYP3A4CYP2D6CYP2C19MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9050213 | 0.82 | CHRNB2 (0.46) | MEN1KMT2A | |
| SCHEMBL6047291 | 0.82 | ESR2 (0.42) | LMNAMEN1KMT2A | |
| SCHEMBL8846952 | 0.81 | CHRNB2 (0.49) | SMN1; SMN2CYP3A4CYP2C19MEN1KMT2A | |
| SCHEMBL4019471 | 0.81 | CHRNB2 (0.49) | SMN1; SMN2CYP3A4CYP2C19MEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0705259-B1 | PHENYRROLE DERIVATIVES AND THEIR USE AS DOPAMINE D3 ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1998-02-25 | — | — | EP | disclosed |
| EP-0705259-A1 | PHENYRROLE DERIVATIVES AND THEIR USE AS DOPAMINE D3 ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1996-04-10 | — | — | EP | disclosed |
| WO-1995000508-A1 | PHENYRROLE DERIVATIVES AND THEIR USE AS DOPAMINE D3 ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-01-05 | — | — | WO | disclosed |