Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 9/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9508035 | 0.71 | TYMS (0.55) | TYMSSCN9AHTR6FFAR2 | |
| SCHEMBL16506969 | 0.66 | GAA (0.62) | GAAMAPTMCL1ALDH1A1 | |
| SCHEMBL12083406 | 0.64 | ALDH1A1 (0.59) | TYMSGAAMAPTALDH1A1HTR6 | |
| SCHEMBL4664193 | 0.63 | TYMS (0.46) | TYMSGAAMAPTALDH1A1HTR6 | |
| SCHEMBL9508011 | 0.63 | TYMS (0.73) | TYMSSCN9A | |
| SCHEMBL9508662 | 0.63 | TYMS (0.59) | TYMSMAPTALDH1A1 | |
| SCHEMBL9080571 | 0.61 | TYMS (0.79) | TYMSMAPTALDH1A1 | |
| SCHEMBL4664189 | 0.61 | TYMS (0.46) | TYMSGAAMAPTALDH1A1HTR6 | |
| SCHEMBL9504568 | 0.60 | TYMS (0.69) | TYMSALDH1A1HTR6FFAR2 | |
| SCHEMBL9587910 | 0.59 | DHFR (0.47) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1992005153-A1 | ANTIPROLIFERATIVE SUBSTITUTED NAPHTHALENE COMPOUNDS | AGOURON PHARMACEUTICALS, INC. (US) | 1992-04-02 | — | — | WO | disclosed |