Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 10/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9080061 | 0.81 | TYMS (0.46) | TYMSALDH1A1MAPK1L3MBTL1TSHR | |
| SCHEMBL9041820 | 0.78 | ALDH1A1 (0.63) | TYMSALDH1A1MAPK1L3MBTL1TSHR | |
| SCHEMBL9078978 | 0.78 | TYMS (0.46) | TYMSALDH1A1MAPK1L3MBTL1TSHR | |
| SCHEMBL9079545 | 0.75 | CA1 (0.46) | TYMSALDH1A1MAPK1L3MBTL1MAPT | |
| SCHEMBL9077614 | 0.74 | ALDH1A1 (0.54) | TYMSALDH1A1LMNATSHRHIF1A | |
| SCHEMBL9039794 | 0.74 | TYMS (0.46) | TYMSALDH1A1MAPK1L3MBTL1TSHR | |
| SCHEMBL9079018 | 0.72 | KMT2A (0.49) | TYMSALDH1A1NPC1LMNAMAPT | |
| SCHEMBL10693232 | 0.72 | TYMS (0.58) | TYMSALDH1A1MAPK1LMNAMAPT | |
| SCHEMBL9078243 | 0.71 | TYMS (0.45) | TYMSALDH1A1MAPK1L3MBTL1TSHR | |
| SCHEMBL6392030 | 0.69 | NPC1 (0.39) | TYMSALDH1A1MAPK1L3MBTL1NPC1 |
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 |