Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 9/20 | 0.44 |
| ▸ | BCHE | P06276 | 8/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL9690175 | 0.89 | TSHR (0.50) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL8543715 | 0.88 | PTGS1 (0.51) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL8540971 | 0.88 | CYP3A4 (0.47) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL4309982 | 0.86 | CYP3A4 (0.49) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL4316353 | 0.84 | PTGS1 (0.47) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL9690451 | 0.82 | TSHR (0.49) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL2059305 | 0.81 | PTGS1 (0.64) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL20764448 | 0.81 | PTGS1 (0.64) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL5770041 | 0.81 | PTGS1 (0.64) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL10367354 | 0.81 | CYP3A4 (0.67) | 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 6 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 |
| EP-0358676-A1 | PHARMACEUTICALLY ACTIVE AMINES | THE UPJOHN COMPANY (US) | 1990-03-21 | — | — | EP | disclosed |
| WO-1988008424-A1 | PHARMACEUTICALLY ACTIVE AMINES | THE UPJOHN COMPANY (US) | 1988-11-03 | — | — | WO | disclosed |