Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.58 |
| ▸ | TYMS | P04818 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | FEN1 | P39748 | 1/20 | 0.45 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29958600 | 1.00 | CYP1A2 (0.58) | CYP1A2CYP2A6TYMSALDH1A1KDM4E | |
| SCHEMBL6076850 | 1.00 | CYP1A2 (0.58) | CYP1A2CYP2A6TYMSALDH1A1KDM4E | |
| SCHEMBL22211958 | 0.83 | CYP1A2 (0.68) | CYP1A2CYP2A6TYMSALDH1A1HPGD | |
| SCHEMBL30366723 | 0.82 | CYP1A2 (0.67) | CYP1A2CYP2A6TYMSALDH1A1KDM4E | |
| SCHEMBL20356035 | 0.82 | CYP1A2 (0.67) | CYP1A2CYP2A6TYMSALDH1A1KDM4E | |
| SCHEMBL28658521 | 0.79 | CYP1A2 (0.54) | CYP1A2CYP2A6TYMSALDH1A1KDM4E | |
| SCHEMBL29650355 | 0.79 | CYP1A2 (0.54) | CYP1A2CYP2A6TYMSALDH1A1KDM4E | |
| SCHEMBL29360179 | 0.76 | CYP1A2 (0.55) | CYP1A2CYP2A6TYMSALDH1A1KDM4E | |
| SCHEMBL176331 | 0.76 | CYP1A2 (0.55) | CYP1A2CYP2A6TYMSALDH1A1KDM4E | |
| SCHEMBL17841964 | 0.74 | HPRT1 (0.58) | CYP1A2CYP2A6ALDH1A1HPGDMAPT |
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-115124854-A | Production method of C.I. solvent green 5 and series derivatives and intermediates thereof | 鞍山市五色石新材料科技有限公司 | 2022-09-30 | — | — | CN | disclosed |