Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.42 |
| ▸ | USP2 | O75604 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | BCR | P11274 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HBB | P68871 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3504318 | 0.92 | ACHE (0.41) | HSP90AA1HSP90AB1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL3505069 | 0.87 | GAA (0.45) | DRD3ALDH1A1HSD17B10LMNAKDM4E | |
| SCHEMBL3504880 | 0.84 | ALDH1A1 (0.56) | HSP90AA1HSP90AB1DRD3ALDH1A1CYP1A2 | |
| SCHEMBL3504561 | 0.80 | ALDH1A1 (0.46) | HSP90AA1HSP90AB1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL3505856 | 0.79 | EPHX2 (0.42) | DRD3ACHEGAATDP1 | |
| SCHEMBL6953674 | 0.79 | HSP90AA1 (0.55) | HSP90AA1HSP90AB1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL8183130 | 0.77 | CYP3A4 (0.47) | HSP90AA1HSP90AB1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6951018 | 0.77 | HRH3 (0.45) | DRD3ALDH1A1HSD17B10LMNAKDM4E | |
| SCHEMBL6959886 | 0.76 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP3A4CLK4USP2 | |
| SCHEMBL9085767 | 0.75 | NR1I3 (0.46) | HSP90AA1HSP90AB1ALDH1A1CYP1A2CYP3A4 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5494908-A | ANTIDEPRESSANT | HOECHST-ROUSSEL PHARMACEUTICAL INCORPORATED (US) | 1996-02-27 | — | — | US | claimed |
| US-20100247543-A1 | TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES | ORYZON GENOMICS, S.A. (ES) | 2010-09-30 | — | — | US | disclosed |
| EP-0669920-B1 | SUBSTITUTED 3-(AMINOALKYLAMINO)-1,2-BENZISOXAZOLES AND RELATED COMPOUNDS | AVENTIS PHARMA INC (US) | 2003-02-12 | — | — | EP | disclosed |
| US-6046203-A | USEFUL FOR THE TREATMENT OF VARIOUS MEMORY DYSFUNCTIONS CHARACTERIZED BY A DECREASED CHOLINERGIC FUNCTION SUCH AS ALZHEIMER'S DISEASE; ALSO INHIBIT MONOAMINE OXIDASE AND HENCE ARE USEFUL AS ANTIDEPRESSANTS | AVENTIS PHARMACEUTICALS INC. (US) | 2000-04-04 | — | — | US | disclosed |
| US-5580982-A | ANTIDEPRESSANTS; ANTICHOLINERGIC AGENTS; ALZHEIMER'S DISEASE; AMINE OXIDASE INHIBITORS | HOECHST MARION ROUSSEL INC. (US) | 1996-12-03 | — | — | US | disclosed |
| US-5494908-A | ANTIDEPRESSANT | HOECHST-ROUSSEL PHARMACEUTICAL INCORPORATED (US) | 1996-02-27 | — | — | US | disclosed |
| WO-1994012495-A1 | SUBSTITUTED 3-(AMINOALKYLAMINO)-1,2-BENZISOXAZOLES AND RELATED COMPOUNDS | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1994-06-09 | — | — | WO | disclosed |