Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21892896 | 0.77 | MAPK1 (0.38) | HSD17B1ALDH1A1GAAKDM4EHPGD | |
| SCHEMBL30067391 | 0.73 | CASP1 (0.39) | HSD17B1ALDH1A1GAAKDM4EHPGD | |
| SCHEMBL30067381 | 0.73 | HSD17B1 (0.43) | HSD17B1ALDH1A1GAAKDM4EHPGD | |
| SCHEMBL1151568 | 0.72 | ALDH1A1 (0.59) | HSD17B1ALDH1A1GAAKDM4EHPGD | |
| SCHEMBL866242 | 0.71 | HSD17B1 (0.51) | HSD17B1 | |
| SCHEMBL11811087 | 0.69 | MAOA (0.30) | — | |
| SCHEMBL168554 | 0.67 | GRIN2D (0.36) | — | |
| SCHEMBL6879965 | 0.66 | METAP2 (0.38) | HSD17B1ALDH1A1GAA | |
| SCHEMBL4812130 | 0.65 | HSD17B1 (0.62) | HSD17B1ALDH1A1GAAKDM4EHPGD | |
| Ammonia Solution, Strong SCHEMBL27455415 | 0.65 | GRIN2D (0.35) | ALDH1A1KDM4EHPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3954983-A | CENTRAL NERVOUS SYSTEM ANTIDEPRESSANTS | RICHARDSON-MERRELL INC. (US) | 1976-05-04 | — | — | US | disclosed |