Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | TYMS | P04818 | 4/20 | 0.44 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.41 |
| ▸ | XBP1 | P17861 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | PDE1A | P54750 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9080103 | 0.81 | ALOX5 (0.44) | KMT2AMEN1POLBTYMSKDM4E | |
| SCHEMBL7709465 | 0.79 | POLB (0.51) | KMT2AMEN1POLBTYMSPRMT1 | |
| SCHEMBL30761754 | 0.78 | KMT2A (0.76) | KMT2AMEN1POLBTYMSPRMT1 | |
| SCHEMBL6548245 | 0.78 | KMT2A (0.76) | KMT2AMEN1POLBTYMSPRMT1 | |
| SCHEMBL9041820 | 0.76 | ALDH1A1 (0.63) | TYMSALDH1A1AHRMAOAHSD17B10 | |
| SCHEMBL9080061 | 0.76 | TYMS (0.46) | TYMSALDH1A1MAOAHSD17B10HPGD | |
| SCHEMBL5256291 | 0.75 | MCL1 (0.46) | KMT2AMEN1POLBKDM4EMAPT | |
| SCHEMBL7706740 | 0.74 | KMT2A (0.47) | KMT2AMEN1POLBTYMSPRMT1 | |
| SCHEMBL7712218 | 0.73 | KMT2A (0.46) | KMT2AMEN1POLBTYMSPRMT1 | |
| SCHEMBL9078978 | 0.73 | TYMS (0.46) | TYMSKDM4EALDH1A1HTTAHR |
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 |