Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 12/20 | 0.69 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.35 |
| ▸ | CRHBP | P24387 | 2/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 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 | |
|---|---|---|---|---|
| SCHEMBL9506760 | 0.88 | TYMS (0.58) | TYMSHTR6 | |
| SCHEMBL9508011 | 0.75 | TYMS (0.73) | TYMS | |
| SCHEMBL9508035 | 0.70 | TYMS (0.55) | TYMSHTR6FFAR2CRHBPCRHR2 | |
| SCHEMBL9508016 | 0.67 | TYMS (0.58) | TYMS | |
| SCHEMBL9080093 | 0.67 | TYMS (1.00) | TYMSKDM4EALDH1A1 | |
| SCHEMBL9704004 | 0.66 | MAPT (0.57) | KDM4EALDH1A1KEAP1NFE2L2 | |
| SCHEMBL12083406 | 0.66 | ALDH1A1 (0.59) | TYMSHTR6ALDH1A1 | |
| SCHEMBL9587756 | 0.65 | TYMS (0.43) | TYMSHTR6KDM4EALDH1A1CRHBP | |
| SCHEMBL9508662 | 0.65 | TYMS (0.59) | TYMSALDH1A1CRHBPCRHR2 | |
| SCHEMBL1065778 | 0.63 | DHFR (0.59) | TYMS |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0550566-A1 | ANTIPROLIFERATIVE SUBSTITUTED NAPHTHALENE COMPOUNDS | AGOURON PHARMACEUTICALS (US) | 1993-07-14 | — | — | EP | disclosed |
| WO-1992005153-A1 | ANTIPROLIFERATIVE SUBSTITUTED NAPHTHALENE COMPOUNDS | AGOURON PHARMACEUTICALS, INC. (US) | 1992-04-02 | — | — | WO | disclosed |