Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 7/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | TACR2 | P21452 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.40 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1226564 | 0.83 | ITGB3 (0.48) | — | |
| SCHEMBL9021101 | 0.83 | ITGB3 (0.48) | — | |
| SCHEMBL3956081 | 0.83 | ITGB3 (0.48) | — | |
| SCHEMBL7456041 | 0.79 | CXCR4 (0.43) | CXCR4CYP1A2SIRT2SIRT1SIRT3 | |
| SCHEMBL8079346 | 0.78 | CXCR4 (0.60) | CXCR4CYP1A2TACR2OPRM1MMP13 | |
| SCHEMBL7456058 | 0.77 | MMP1 (0.61) | CXCR4CYP1A2 | |
| SCHEMBL10327213 | 0.75 | CXCR4 (0.47) | CXCR4 | |
| SCHEMBL7448481 | 0.75 | CXCR4 (0.43) | CXCR4CYP1A2TACR2OPRM1MMP13 | |
| SCHEMBL17676894 | 0.75 | CXCR4 (0.47) | CXCR4 | |
| SCHEMBL10327192 | 0.75 | CXCR4 (0.47) | CXCR4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001027096-A9 | AMINOMETHYL-(HETERO)ARYL DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS | PROTHERICS MOLECULAR DESIGN LT (GB) | 2001-07-12 | — | — | WO | disclosed |