Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | XDH | P47989 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29896948 | 0.85 | GSK3B (0.54) | MAPK1CYP1A2CYP3A4TSHRADRB2 | |
| SCHEMBL10493941 | 0.85 | GSK3B (0.43) | MAPK1CYP1A2CYP3A4TSHRADRB2 | |
| SCHEMBL5165644 | 0.85 | GSK3B (0.54) | MAPK1CYP1A2CYP3A4TSHRADRB2 | |
| SCHEMBL13974083 | 0.85 | PGR (0.42) | MAPK1CYP1A2CYP3A4TSHRADRB2 | |
| SCHEMBL9821246 | 0.85 | MAPK1 (0.38) | MAPK1CYP1A2CYP3A4TSHRADRB2 | |
| SCHEMBL5070972 | 0.82 | MAPK1 (0.43) | MAPK1CYP1A2CYP3A4TSHRADRB2 | |
| SCHEMBL4026182 | 0.80 | CDC25B (0.50) | TSHRALDH1A1HPGDMAPTTDP1 | |
| SCHEMBL6816025 | 0.80 | PARP15 (0.43) | MAPK1CYP1A2CYP3A4TSHRADRB2 | |
| SCHEMBL8060674 | 0.79 | VNN1 (0.45) | TSHRGSK3BALDH1A1NPC1 | |
| SCHEMBL23302174 | 0.79 | TSHR (0.38) | MAPK1CYP1A2CYP3A4TSHRADRB2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5071871-A | Pharmaceutically useful benzo(β)pyranes and pyranopyridines | SANDOZ LTD. (CH) | 1991-12-10 | — | — | US | disclosed |
| EP-0439054-A1 | Monoazo dyes, their preparation and use | CASSELLA Aktiengesellschaft (DE) | 1991-07-31 | — | — | EP | disclosed |
| US-RE32196-E | PROPHYLACTIC CHEMOTHERAPY OF ALLERGIC CONDITIONS | LILLY INDUSTRIES LIMITED (GB) | 1986-07-01 | — | — | US | disclosed |
| EP-0038615-A2 | Disperse monoazo dyes | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1981-10-28 | — | — | EP | disclosed |