Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 3/20 | 0.48 |
| ▸ | PTGES | O14684 | 1/20 | 0.48 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.44 |
| ▸ | ANO2 | Q9NQ90 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | RORC | P51449 | 1/20 | 0.44 |
| ▸ | TNF | P01375 | 1/20 | 0.44 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2152969 | 0.86 | TSHR (0.54) | ALOX5PTGESMAPTKDM4EALDH1A1 | |
| SCHEMBL9077944 | 0.84 | ALDH1A1 (0.50) | ALOX5PTGESMAPTKDM4EALDH1A1 | |
| SCHEMBL9042674 | 0.83 | MEN1 (0.48) | ALOX5PTGESMAPTKDM4EALDH1A1 | |
| SCHEMBL1287810 | 0.76 | NCEH1 (0.57) | MAPTKDM4EALDH1A1NPC1LMNA | |
| SCHEMBL9485623 | 0.75 | MAPT (0.54) | HPRT1MAPTKDM4EALDH1A1LMNA | |
| SCHEMBL1539120 | 0.75 | ALDH1A1 (0.66) | MAPTKDM4EALDH1A1LMNAMEN1 | |
| SCHEMBL3855978 | 0.75 | TDP1 (0.57) | ALOX5PTGESMAPTKDM4EALDH1A1 | |
| SCHEMBL6775138 | 0.74 | ALOX5 (0.48) | ALOX5PTGESMAPTKDM4EALDH1A1 | |
| SCHEMBL9486092 | 0.73 | MAPT (0.50) | MAPTKDM4EALDH1A1NPC1MEN1 | |
| SCHEMBL8623371 | 0.73 | MEN1 (0.65) | HPRT1MAPTKDM4EALDH1A1LMNA |
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 |
| EP-0705250-A1 | BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-04-10 | — | — | EP | disclosed |
| US-5416089-A | Antitumor agent | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-05-16 | — | — | US | disclosed |