Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 2/20 | 0.51 |
| ▸ | EDNRA | P25101 | 1/20 | 0.47 |
| ▸ | GABRP | O00591 | 1/20 | 0.45 |
| ▸ | GABRD | O14764 | 1/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.45 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.45 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.45 |
| ▸ | GABRE | P78334 | 1/20 | 0.45 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.45 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.45 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.45 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.45 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29113502 | 0.84 | PTGER1 (0.45) | SRD5A2EDNRAPTGER1MEN1KMT2A | |
| SCHEMBL7427808 | 0.84 | EDNRA (0.56) | SRD5A2EDNRAGABRPGABRDGABRA1 | |
| SCHEMBL7450791 | 0.79 | SRD5A2 (0.42) | SRD5A2PTGER1KMT2AALDH1A1MAPT | |
| SCHEMBL8615942 | 0.78 | SRD5A2 (0.50) | SRD5A2EDNRAGABRPGABRDGABRA1 | |
| SCHEMBL7492988 | 0.76 | ALDH1A1 (0.54) | SRD5A2MEN1KMT2APOLBGAA | |
| Dimethylamine SCHEMBL28933529 | 0.73 | MEN1 (0.43) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL7778483 | 0.72 | ALDH1A1 (0.55) | EDNRAMEN1KMT2APOLBGAA | |
| SCHEMBL6596450 | 0.71 | MRGPRX4 (0.46) | SRD5A2EDNRAGABRPGABRDGABRA1 | |
| SCHEMBL7390324 | 0.70 | HTR2A (0.55) | SRD5A2EDNRAPTGER1ALDH1A1HTR2A | |
| SCHEMBL4893406 | 0.70 | SRD5A2 (0.56) | SRD5A2GABRPGABRDGABRA1GABRB1 |
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-112358435-B | Substituted aromatic heterocyclic compound, preparation method, ULK1 inhibition and antitumor application | 中国医学科学院医药生物技术研究所 | 2023-01-10 | — | — | CN | disclosed |