Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | AHR | P35869 | 2/20 | 0.37 |
| ▸ | GABRP | O00591 | 1/20 | 0.36 |
| ▸ | GABRD | O14764 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 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 | |
|---|---|---|---|---|
| SCHEMBL9041820 | 0.82 | ALDH1A1 (0.63) | TYMSALDH1A1HPGDTSHRMAPK1 | |
| SCHEMBL9080061 | 0.81 | TYMS (0.46) | TYMSALDH1A1HPGDTSHRMAPK1 | |
| SCHEMBL9039794 | 0.81 | TYMS (0.46) | TYMSALDH1A1HPGDTSHRMAPK1 | |
| SCHEMBL9079545 | 0.79 | CA1 (0.46) | TYMSALDH1A1HPGDTSHRMAPK1 | |
| SCHEMBL9077614 | 0.78 | ALDH1A1 (0.54) | TYMSALDH1A1TSHRHIF1AHSD17B10 | |
| SCHEMBL9077954 | 0.78 | TYMS (0.43) | TYMSALDH1A1HPGDTSHRMAPK1 | |
| SCHEMBL9078243 | 0.74 | TYMS (0.45) | TYMSALDH1A1HPGDTSHRMAPK1 | |
| SCHEMBL4957627 | 0.73 | TYMS (0.67) | TYMSALDH1A1ALOX15TDP1CES1 | |
| SCHEMBL9079018 | 0.73 | KMT2A (0.49) | TYMSALDH1A1HPGDCASP1HSD17B10 | |
| SCHEMBL9856829 | 0.72 | CYP1A2 (0.52) | TYMSALDH1A1HPGDL3MBTL1ALOX15 |
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-5585382-A | ANTICARCINOGENIC AGENTS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-12-17 | — | — | US | disclosed |
| US-5416089-A | Antitumor agent | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-05-16 | — | — | US | disclosed |
| WO-1995000490-A1 | BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-01-05 | — | — | WO | disclosed |