Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.46 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | XDH | P47989 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 4/20 | 0.44 |
| ▸ | MAOB | P27338 | 4/20 | 0.44 |
| ▸ | TNKS | O95271 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30768058 | 1.00 | NQO2 (0.50) | NQO2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL8784780 | 0.88 | KDM4E (0.58) | KDM4EALDH1A1HPGDHSD17B10ROCK2 | |
| SCHEMBL32670130 | 0.82 | NPC1 (0.50) | KDM4EACHEMAOAMAOBFTO | |
| SCHEMBL30768028 | 0.80 | TTR (0.51) | ALDH1A1ACHEMAOAMAOBFTO | |
| SCHEMBL6620745 | 0.80 | TTR (0.51) | ALDH1A1ACHEMAOAMAOBFTO | |
| SCHEMBL826046 | 0.79 | HTR1B (0.59) | KDM4EALDH1A1HPGDHSD17B10CREBBP | |
| SCHEMBL30768023 | 0.79 | HTR1A (0.51) | NQO2KDM4EACHEMAOAMAOB | |
| SCHEMBL1874005 | 0.79 | HTR1A (0.51) | NQO2KDM4EACHEMAOAMAOB | |
| SCHEMBL19740390 | 0.78 | NQO2 (0.56) | NQO2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL30768019 | 0.78 | MAOA (0.43) | KDM4EALDH1A1HPGDACHEMAOA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117615763-A | Phosphoinositide 3 kinase beta inhibitor, composition and preparation method thereof | 健道生物医药有限公司 | 2024-02-27 | — | — | CN | disclosed |