Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | BCHE | P06276 | 15/20 | 0.51 |
| ▸ | ACHE | P22303 | 15/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2059491 | 0.83 | PTGS1 (0.62) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL15819997 | 0.82 | PTGS1 (0.57) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL9688222 | 0.82 | ALOX5 (0.46) | CYP3A4TSHRALOX5 | |
| SCHEMBL9689267 | 0.80 | ACHE (0.59) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL2059281 | 0.77 | PTGS1 (0.62) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL2059242 | 0.77 | PTGS1 (0.62) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL30463836 | 0.77 | PTGS1 (0.62) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL20485618 | 0.77 | ACHE (0.57) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL9010313 | 0.77 | PTGS1 (0.56) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL2059364 | 0.77 | PTGS1 (0.58) | PTGS1PTGS2CYP1A2CYP3A4TSHR |
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-0487510-A1 | Pharmaceutically active amines | THE UPJOHN COMPANY (US) | 1992-05-27 | — | — | EP | claimed |
| EP-0358676-A1 | PHARMACEUTICALLY ACTIVE AMINES | THE UPJOHN COMPANY (US) | 1990-03-21 | — | — | EP | claimed |
| EP-0293078-A1 | Pharmaceutically active amines | THE UPJOHN COMPANY (US) | 1988-11-30 | — | — | EP | claimed |
| WO-1988008424-A1 | PHARMACEUTICALLY ACTIVE AMINES | THE UPJOHN COMPANY (US) | 1988-11-03 | — | — | WO | claimed |