Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 5/20 | 0.79 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.50 |
| ▸ | CASP1 | P29466 | 3/20 | 0.50 |
| ▸ | CASP7 | P55210 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | PTPRB | P23467 | 1/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9702076 | 0.89 | TYMS (0.75) | TYMSKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL9508657 | 0.89 | TYMS (0.63) | TYMSKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL9080093 | 0.89 | TYMS (1.00) | TYMSKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL9508016 | 0.77 | TYMS (0.58) | TYMS | |
| SCHEMBL9704001 | 0.74 | TYMS (0.62) | TYMSKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL9504724 | 0.74 | TYMS (0.52) | TYMS | |
| SCHEMBL9704015 | 0.73 | TYMS (0.67) | TYMSKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL9506816 | 0.69 | TYMS (0.62) | TYMSKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL9701868 | 0.69 | TYMS (0.76) | TYMSKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL9702062 | 0.68 | TYMS (0.61) | TYMSKDM4EALDH1A1HPGDHSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5574039-A | ANTITUMOR, FUNGICIDES | AGOURON PHARMACEUTICALS, INC. (US) | 1996-11-12 | — | — | US | disclosed |
| 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 |