Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | BCHE | P06276 | 6/20 | 0.44 |
| ▸ | ACHE | P22303 | 6/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9690307 | 0.89 | PTGS1 (0.53) | TSHRPTGS1PTGS2CYP1A2CYP3A4 | |
| SCHEMBL8543715 | 0.82 | PTGS1 (0.51) | TSHRPTGS1PTGS2CYP1A2CYP3A4 | |
| SCHEMBL9689597 | 0.81 | USP2 (0.60) | TSHRCYP3A4LMNAMAPT | |
| SCHEMBL9689171 | 0.80 | TSHR (0.54) | TSHRPTGS1PTGS2CYP1A2CYP3A4 | |
| SCHEMBL4309982 | 0.80 | CYP3A4 (0.49) | TSHRPTGS1PTGS2CYP1A2CYP3A4 | |
| SCHEMBL2059305 | 0.79 | PTGS1 (0.64) | TSHRPTGS1PTGS2CYP1A2CYP3A4 | |
| SCHEMBL30534604 | 0.79 | CYP3A4 (0.67) | TSHRPTGS1PTGS2CYP1A2CYP3A4 | |
| SCHEMBL10367354 | 0.79 | CYP3A4 (0.67) | TSHRPTGS1PTGS2CYP1A2CYP3A4 | |
| SCHEMBL2059447 | 0.78 | TSHR (0.55) | TSHRPTGS1PTGS2CYP1A2CYP3A4 | |
| SCHEMBL9690157 | 0.78 | TSHR (0.49) | TSHRPTGS1PTGS2CYP1A2CYP3A4 |
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 |