Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 6/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.37 |
| ▸ | GABRD | O14764 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9214353 | 0.88 | ALDH1A1 (0.41) | ALDH1A1CYP3A4ALOX15HSD17B10MAPT | |
| SCHEMBL9214349 | 0.85 | MAPT (0.40) | ALDH1A1CYP3A4ALOX15HSD17B10MAPT | |
| SCHEMBL18573116 | 0.76 | KDM4E (0.40) | ALDH1A1CYP3A4ALOX15HSD17B10MAPT | |
| SCHEMBL9078671 | 0.74 | TYMS (0.43) | ALDH1A1MAPTMEN1KMT2ATDP1 | |
| SCHEMBL9040658 | 0.73 | MEN1 (0.66) | ALDH1A1CYP3A4ALOX15HSD17B10MAPT | |
| SCHEMBL9078669 | 0.72 | MAPT (0.40) | ALDH1A1MAPTMEN1KMT2ATDP1 | |
| SCHEMBL5376486 | 0.72 | TDP1 (0.49) | ALDH1A1CYP3A4ALOX15HSD17B10MAPT | |
| SCHEMBL18573105 | 0.70 | KDM4E (0.39) | ALDH1A1HSD17B10MAPTMEN1KMT2A | |
| SCHEMBL1074921 | 0.69 | ALDH1A1 (0.59) | ALDH1A1CYP3A4ALOX15MAPTMEN1 | |
| SCHEMBL30492617 | 0.69 | ALDH1A1 (0.59) | ALDH1A1CYP3A4ALOX15MAPTMEN1 |
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 |
| 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 |
| WO-1995000490-A1 | BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-01-05 | — | — | WO | disclosed |