Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.48 |
| ▸ | CES1 | P23141 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | PLK1 | P53350 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.39 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7845030 | 0.93 | AKR1C3 (0.46) | CES2CES1ALDH1A1HPGDMEN1 | |
| SCHEMBL4988038 | 0.89 | PLK1 (0.42) | ALDH1A1HPGDMEN1KMT2APLK1 | |
| SCHEMBL7833587 | 0.85 | PLK1 (0.42) | CES2CES1ALDH1A1HPGDMEN1 | |
| SCHEMBL6516239 | 0.85 | PLK1 (0.42) | CES2CES1ALDH1A1MEN1KMT2A | |
| SCHEMBL7843096 | 0.85 | PLK1 (0.42) | CES2CES1ALDH1A1MEN1KMT2A | |
| SCHEMBL28878867 | 0.85 | ALDH1A1 (0.53) | CES2CES1ALDH1A1HPGDTDP1 | |
| SCHEMBL7508723 | 0.84 | PLK1 (0.41) | CES2CES1ALDH1A1MEN1KMT2A | |
| SCHEMBL7089429 | 0.84 | PLK1 (0.41) | CES2CES1ALDH1A1MEN1KMT2A | |
| SCHEMBL7843939 | 0.84 | AKR1C3 (0.48) | CES2CES1ALDH1A1HPGDMEN1 | |
| SCHEMBL627867 | 0.82 | CES2 (0.64) | CES2CES1ALDH1A1TDP1L3MBTL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4576958-A | VASODILATORS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1986-03-18 | — | — | US | disclosed |