Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.41 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | TNKS | O95271 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL10686607 | 1.00 | AKR1C3 (0.48) | AKR1C3MEN1KMT2AHTTCYP3A4 | |
| SCHEMBL28419365 | 0.84 | AKR1C3 (0.50) | AKR1C3MEN1KMT2AHTTCYP3A4 | |
| SCHEMBL6520258 | 0.83 | AKR1C3 (0.50) | AKR1C3MEN1KMT2AHTTCYP3A4 | |
| SCHEMBL6525854 | 0.81 | LMNA (0.43) | AKR1C3MEN1KMT2AHTTCYP3A4 | |
| SCHEMBL6515807 | 0.79 | AKR1C3 (0.42) | AKR1C3MEN1KMT2AHTTCYP3A4 | |
| SCHEMBL4134417 | 0.79 | MEN1 (0.46) | AKR1C3MEN1KMT2AHTTCYP3A4 | |
| SCHEMBL6522218 | 0.78 | TSHR (0.51) | AKR1C3MEN1KMT2ACYP3A4CYP2C9 | |
| SCHEMBL689448 | 0.77 | AKR1C3 (0.55) | AKR1C3MEN1KMT2AHTTCYP3A4 | |
| SCHEMBL22634102 | 0.77 | AKR1C3 (0.55) | AKR1C3MEN1KMT2AHTTCYP3A4 | |
| SCHEMBL6523752 | 0.77 | AKR1C3 (0.40) | AKR1C3MEN1KMT2AHTTCYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4738803-A | ENZYME INHIBITORS | ROQUES BERNARD (FR) | 1988-04-19 | — | — | US | disclosed |
| US-4618708-A | ENKEPHALINASE INHIBITOR, ANALGESICS, ANTIDEPRESSANT, ANTIDIARRHEA, OR HYPOTENSIVE AGENT | ROQUES BERNARD (FR) | 1986-10-21 | — | — | US | disclosed |
| EP-0082088-A1 | Derivatives of amino acids and their therapeutic use | Roques, Bernard (FR) | 1983-06-22 | — | — | EP | disclosed |