Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 12/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29033658 | 0.89 | CASR (0.46) | CASRHSD17B10CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL29033625 | 0.88 | CASR (0.43) | CASRHSD17B10CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL29033642 | 0.87 | CASR (0.46) | CASRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16871130 | 0.77 | CASR (0.46) | CASRMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL30778254 | 0.77 | MAPT (0.44) | CYP1A2CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL30918774 | 0.71 | CASR (0.41) | CASRHSD17B10CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL16871195 | 0.69 | KCNA5 (0.43) | CASRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16871360 | 0.69 | CASR (0.48) | CASRCYP1A2CYP3A4CYP2C9HPGD | |
| SCHEMBL16871050 | 0.68 | CASR (0.45) | CASRMEN1KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL16871347 | 0.68 | MAPT (0.47) | CASRCYP3A4CYP2C9HPGDCYP2C19 |
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-116444458-A | Method for realizing migration of remote aromatic heterocycle and direct alkyl heteroaryl of terminal olefin | 南京工业大学 | 2023-07-18 | — | — | CN | disclosed |