Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 2/20 | 0.51 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | COMT | P21964 | 1/20 | 0.40 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.39 |
| ▸ | SELE | P16581 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7515639 | 0.82 | TYMS (0.51) | TYMSDHFRXDH | |
| SCHEMBL7515343 | 0.81 | TYMS (0.42) | TYMSDHFRHAO1MEN1KMT2A | |
| SCHEMBL7512558 | 0.81 | RXFP1 (0.50) | TYMSDHFRHAO1ALDH1A1MEN1 | |
| SCHEMBL7518650 | 0.77 | TYMS (0.43) | TYMSDHFR | |
| SCHEMBL5206874 | 0.71 | L3MBTL1 (0.41) | TYMSCOMTICAM1SELE | |
| SCHEMBL7514845 | 0.69 | TYMS (0.42) | TYMSDHFRXDH | |
| SCHEMBL23339220 | 0.68 | NOS1 (0.40) | TYMSALDH1A1MEN1KMT2AXDH | |
| SCHEMBL1374427 | 0.68 | KDM4E (0.37) | ALDH1A1MEN1KMT2AXDHPARP1 | |
| SCHEMBL10395372 | 0.68 | GRM5 (0.51) | DHFRHAO1ALDH1A1MEN1KMT2A | |
| SCHEMBL8982402 | 0.67 | HAO1 (0.50) | TYMSDHFRHAO1ALDH1A1MEN1 |
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-1165522-A1 | NEUROTROPHIC THIO SUBSTITUTED PYRIMIDINES | Krenitsky Pharmaceuticals, Inc. (US) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000059893-A1 | NEUROTROPHIC THIO SUBSTITUTED PYRIMIDINES | KRENITSKY PHARMACEUTICALS INC. (US) | 2000-10-12 | — | — | WO | disclosed |