Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8847829 | 0.84 | AKR1C1 (0.52) | ALDH1A1ALOX15TSHRHSD17B10MEN1 | |
| SCHEMBL8848204 | 0.79 | L3MBTL1 (0.45) | ALDH1A1HDAC4ALOX15TSHRHSD17B10 | |
| SCHEMBL1465052 | 0.75 | ALDH1A1 (0.52) | ALDH1A1MEN1KMT2AHPGD | |
| SCHEMBL13551754 | 0.75 | ESR1 (0.33) | ALDH1A1HSD11B1 | |
| SCHEMBL8105060 | 0.75 | HDAC1 (0.50) | SLC6A2SLC6A4 | |
| SCHEMBL3443425 | 0.74 | HDAC4 (0.61) | ALDH1A1HDAC4HSD11B1LMNAKMT2A | |
| SCHEMBL15800503 | 0.73 | CTNNB1 (0.39) | LMNA | |
| SCHEMBL8097178 | 0.73 | HDAC1 (0.47) | ALDH1A1HDAC4HSD11B1HPGD | |
| SCHEMBL29275065 | 0.73 | HSD11B1 (0.47) | ALDH1A1HDAC4HSD11B1LMNAIDO1 | |
| SCHEMBL248544 | 0.72 | AKR1C1 (0.64) | ALDH1A1HDAC4HSD11B1LMNAMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5663416-A | ENZYME INHIBITORS AS ANTIINFLAMMATORY AGENTS OR DERMATITIS TREATMENT | CORTECH INC. | 1997-09-02 | — | — | US | disclosed |
| EP-0465802-A1 | Oxidant sensitive and insensitive aromatic esters as inhibitors of human neutrophil elastase | CORTECH, INC. (US) | 1992-01-15 | — | — | EP | disclosed |