Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 14/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 14/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3505581 | 0.87 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1ACHECSNK2A1ALDH1A1 | |
| SCHEMBL3504380 | 0.80 | ALDH1A1 (0.48) | HSP90AA1HSP90AB1ALDH1A1TSHRHSD17B10 | |
| SCHEMBL3506889 | 0.79 | HTR3A (0.41) | ALDH1A1CYP3A4TSHRHSD17B10 | |
| SCHEMBL6953674 | 0.77 | HSP90AA1 (0.55) | HSP90AA1HSP90AB1ACHEALDH1A1CYP3A4 | |
| SCHEMBL3505061 | 0.72 | KDM4E (0.53) | HSP90AA1HSP90AB1ACHEALDH1A1TSHR | |
| SCHEMBL3510105 | 0.71 | ALDH1A1 (0.50) | HSP90AA1HSP90AB1ALDH1A1TSHRHSD17B10 | |
| SCHEMBL6959886 | 0.70 | ALDH1A1 (0.53) | ALDH1A1CYP3A4TSHRHSD17B10 | |
| SCHEMBL3505036 | 0.69 | ALDH1A1 (0.58) | ACHEALDH1A1CYP3A4TSHRHSD17B10 | |
| SCHEMBL9085767 | 0.68 | NR1I3 (0.46) | HSP90AA1HSP90AB1ACHECSNK2A1ALDH1A1 | |
| SCHEMBL3504318 | 0.67 | ACHE (0.41) | HSP90AA1HSP90AB1ACHECSNK2A1ALDH1A1 |
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 9 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 |
| EP-0669920-A4 | SUBSTITUTED 3-(AMINOALKYLAMINO)-1,2-BENZISOXAZOLES AND RELATED COMPOUNDS. | HOECHST ROUSSEL PHARMA (US) | 1995-10-25 | — | — | EP | disclosed |
| EP-0669920-A1 | SUBSTITUTED 3-(AMINOALKYLAMINO)-1,2-BENZISOXAZOLES AND RELATED COMPOUNDS | HOECHST MARION ROUSSEL, Inc. (US) | 1995-09-06 | — | — | EP | disclosed |
| WO-1994012495-A1 | SUBSTITUTED 3-(AMINOALKYLAMINO)-1,2-BENZISOXAZOLES AND RELATED COMPOUNDS | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1994-06-09 | — | — | WO | disclosed |