Predicted protein targets (top 7)
| 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 | 16/20 | 0.46 |
| ▸ | ACHE | P22303 | 16/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9688177 | 0.82 | PTGS1 (0.60) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL9313501 | 0.80 | CYP3A4 (0.50) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL9010313 | 0.79 | PTGS1 (0.56) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL9010118 | 0.78 | PTGS1 (0.55) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL9010326 | 0.76 | PTGS1 (0.61) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL9010320 | 0.75 | PTGS1 (0.62) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL9656754 | 0.75 | PTGS1 (0.66) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL9313643 | 0.75 | PTGS1 (0.66) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL9253766 | 0.75 | PTGS1 (0.66) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL30463821 | 0.75 | PTGS1 (0.66) | 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 |