Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | ACP3 | P15309 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 2/20 | 0.35 |
| ▸ | CCR4 | P51679 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4240277 | 1.00 | ALDH1A1 (0.41) | ALDH1A1CYP2A6HSD17B10TSHRCYP3A4 | |
| SCHEMBL3655315 | 1.00 | ALDH1A1 (0.41) | ALDH1A1CYP2A6HSD17B10TSHRCYP3A4 | |
| SCHEMBL3681420 | 0.83 | ALDH1A1 (0.44) | ALDH1A1CYP2A6HSD17B10TSHRCYP3A4 | |
| SCHEMBL1321899 | 0.83 | ALDH1A1 (0.44) | ALDH1A1CYP2A6HSD17B10TSHRCYP3A4 | |
| SCHEMBL30344974 | 0.83 | ALDH1A1 (0.44) | ALDH1A1CYP2A6HSD17B10TSHRCYP3A4 | |
| Hydrochloric Acid SCHEMBL12614790 | 0.81 | ALDH1A1 (0.43) | ALDH1A1CYP2A6HSD17B10TSHRCYP3A4 | |
| Hydrochloric Acid SCHEMBL16653113 | 0.81 | ALDH1A1 (0.43) | ALDH1A1CYP2A6HSD17B10TSHRCYP3A4 | |
| SCHEMBL20013957 | 0.79 | ALDH1A1 (0.41) | ALDH1A1CYP2A6HSD17B10TSHRCYP3A4 | |
| SCHEMBL19443085 | 0.79 | ALDH1A1 (0.41) | ALDH1A1CYP2A6HSD17B10TSHRCYP3A4 | |
| SCHEMBL23732409 | 0.79 | ALDH1A1 (0.38) | ALDH1A1CYP2A6HSD17B10TSHRCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1091932-B1 | CHIRAL STATIONARY PHASES FOR ENANTIOMERS SEPARATION AND THEIR PREPARATION | EURAND PHARMACEUTICALS LTD (IE) | 2003-06-25 | — | — | EP | claimed |