Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.63 |
| ▸ | TSHR | P16473 | 2/20 | 0.63 |
| ▸ | USP2 | O75604 | 2/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.63 |
| ▸ | TP53 | P04637 | 1/20 | 0.63 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.63 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.63 |
| ▸ | THPO | P40225 | 1/20 | 0.63 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.63 |
| ▸ | LCK | P06239 | 1/20 | 0.63 |
| ▸ | FYN | P06241 | 1/20 | 0.63 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.63 |
| ▸ | DRD2 | P14416 | 1/20 | 0.63 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.63 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.63 |
| ▸ | HTR2C | P28335 | 1/20 | 0.63 |
| ▸ | MC4R | P32245 | 1/20 | 0.63 |
| ▸ | HRH1 | P35367 | 1/20 | 0.63 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.63 |
| ▸ | DRD3 | P35462 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL4035933 | 0.89 | ALOX15 (0.50) | CYP3A4TSHRUSP2CYP2C9TP53 | |
| SCHEMBL9689597 | 0.88 | USP2 (0.60) | CYP3A4TSHRUSP2CYP2C9TP53 | |
| SCHEMBL10365792 | 0.87 | CYP3A4 (0.58) | CYP3A4TSHRUSP2CYP2C9TP53 | |
| SCHEMBL9690241 | 0.85 | USP2 (0.66) | CYP3A4TSHRUSP2CYP2C9TP53 | |
| SCHEMBL9690398 | 0.84 | USP2 (0.71) | CYP3A4TSHRUSP2CYP2C9TP53 | |
| SCHEMBL9688269 | 0.84 | DRD2 (0.58) | CYP3A4TSHRUSP2CYP2C9TP53 | |
| Hydrochloric Acid SCHEMBL7328648 | 0.83 | LMNA (0.56) | CYP3A4TSHRUSP2CYP2C9TP53 | |
| SCHEMBL9689548 | 0.83 | CYP3A4 (0.55) | CYP3A4TSHRUSP2CYP2C9TP53 | |
| SCHEMBL10366298 | 0.82 | USP2 (0.68) | CYP3A4TSHRUSP2CYP2C9TP53 | |
| SCHEMBL17289297 | 0.81 | USP2 (0.67) | CYP3A4TSHRUSP2CYP2C9TP53 |
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 |