Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 7/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | RAD52 | P43351 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.41 |
| ▸ | TNF | P01375 | 2/20 | 0.41 |
| ▸ | TOP2A | P11388 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9041055 | 0.88 | TYMS (0.45) | TYMSKDM4EHTTALDH1A1HPGD | |
| SCHEMBL9041820 | 0.80 | ALDH1A1 (0.63) | TYMSALDH1A1HPGDTSHRMAPK1 | |
| SCHEMBL9208484 | 0.76 | ALDH1A1 (0.41) | TYMSKDM4EHTTPOLBALDH1A1 | |
| SCHEMBL9078978 | 0.74 | TYMS (0.46) | TYMSKDM4EHTTALDH1A1HPGD | |
| SCHEMBL9080061 | 0.74 | TYMS (0.46) | TYMSALDH1A1HPGDTSHRMAPK1 | |
| SCHEMBL9078696 | 0.73 | TYMS (0.51) | TYMSKDM4EHTTALDH1A1HPGD | |
| SCHEMBL9041332 | 0.72 | TYMS (0.47) | TYMSKDM4EPOLBTOP2AALOX15 | |
| SCHEMBL9079545 | 0.72 | CA1 (0.46) | TYMSKDM4EALDH1A1HPGDTSHR | |
| SCHEMBL9039794 | 0.71 | TYMS (0.46) | TYMSALDH1A1HPGDTSHRMAPK1 | |
| SCHEMBL9077614 | 0.71 | ALDH1A1 (0.54) | TYMSALDH1A1TSHRHIF1AHSD17B10 |
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 4 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 |
| CN-1125943-A | Diimide polycyclic and heterocyclic chromophores as antitumor agents | DU PONT MERCK PHARMA (US) | 1996-07-03 | — | — | CN | 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 |