Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.65 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | PRKACA | P17612 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28032874 | 0.82 | HSP90AA1 (0.68) | HSP90AA1CYP3A4HSD17B10TDP1ALDH1A1 | |
| SCHEMBL28607731 | 0.82 | ASIC3 (0.56) | HSP90AA1NOTUMALDH1A1ADORA2AADORA1 | |
| SCHEMBL4458 | 0.81 | — | — | |
| Biphenyl SCHEMBL27987857 | 0.80 | ADORA2A (0.56) | HSP90AA1CYP3A4TAAR1HSD17B10TDP1 | |
| Biphenyl SCHEMBL27673401 | 0.79 | HSP90AA1 (0.67) | HSP90AA1CYP3A4TAAR1HSD17B10TDP1 | |
| 1,2-Dichlorobenzene SCHEMBL27560427 | 0.78 | HSP90AA1 (0.62) | HSP90AA1HSD17B10ALDH1A1BCL6 | |
| Water SCHEMBL4239659 | 0.78 | HSP90AA1 (0.93) | HSP90AA1CYP3A4 | |
| SCHEMBL854885 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL360708 | 0.78 | — | — | |
| Water SCHEMBL6705186 | 0.78 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104114543-A | Therapeutically active compounds and methods of use thereof | AGIOS PHARMACEUTICALS INC | 2014-10-22 | — | — | CN | disclosed |
| US-3978159-A | POLYCARBONATES | BAYER AKTIENGESELLSCHAFT (DT) | 1976-08-31 | — | — | US | disclosed |