Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.43 |
| ▸ | TTK | P33981 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | TNKS | O95271 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30530576 | 1.00 | HRH3 (0.52) | HRH3TAAR1BRD4BRD9TTK | |
| SCHEMBL27546443 | 0.80 | CYP2A6 (0.49) | HRH3TAAR1PTGS2HDAC1 | |
| SCHEMBL13568530 | 0.80 | PIP4K2A (0.54) | PTGS2PIP4K2AHDAC6HDAC1ALDH1A1 | |
| SCHEMBL29066265 | 0.80 | MKNK1 (0.49) | PTGS2HDAC1 | |
| Hydrochloric Acid SCHEMBL9442706 | 0.79 | HRH3 (0.65) | HRH3TAAR1BRD4BRD9TTK | |
| SCHEMBL5736397 | 0.78 | RARB (0.45) | PTGS2ALDH1A1 | |
| SCHEMBL13744015 | 0.78 | HRH3 (0.59) | HRH3TAAR1BRD4BRD9TTK | |
| SCHEMBL2321467 | 0.77 | HDAC1 (0.55) | PTGS2PIP4K2AHDAC6CHRNB2HDAC1 | |
| SCHEMBL4159355 | 0.76 | HRH3 (0.57) | HRH3TAAR1BRD4BRD9TTK | |
| SCHEMBL31180051 | 0.76 | PTGS2 (0.38) | TTKPTGS2PIP4K2AHDAC6HDAC1 |
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-116724034-A | 2, 3-dihydro-4H-benzo [ B ] [1,4] oxazin-4-yl (5- (phenyl) -pyridin-3-yl) methanone derivatives and similar compounds as CYP11A1 inhibitors for the treatment of prostate cancer | 奥赖恩公司 | 2023-09-08 | — | — | CN | claimed |
| CN-116724034-A | 2, 3-dihydro-4H-benzo [ B ] [1,4] oxazin-4-yl (5- (phenyl) -pyridin-3-yl) methanone derivatives and similar compounds as CYP11A1 inhibitors for the treatment of prostate cancer | 奥赖恩公司 | 2023-09-08 | — | — | CN | disclosed |