Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.55 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | FBP1 | P09467 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13879068 | 1.00 | AKR1C3 (0.55) | AKR1C3AKR1C1RECQLHTTALDH1A1 | |
| SCHEMBL21091997 | 0.86 | ALDH1A1 (0.48) | AKR1C3AKR1C1RECQLHTTALDH1A1 | |
| SCHEMBL14003231 | 0.86 | RECQL (0.55) | AKR1C3AKR1C1RECQLHTTALDH1A1 | |
| SCHEMBL14003229 | 0.86 | RECQL (0.55) | AKR1C3AKR1C1RECQLHTTALDH1A1 | |
| SCHEMBL20610671 | 0.84 | MCL1 (0.49) | AKR1C3AKR1C1RECQLHTTALDH1A1 | |
| SCHEMBL27542414 | 0.81 | ALDH1A1 (0.42) | AKR1C3AKR1C1RECQLHTTALDH1A1 | |
| SCHEMBL786716 | 0.80 | AKR1C3 (0.57) | AKR1C3AKR1C1RECQLHTTALDH1A1 | |
| SCHEMBL388143 | 0.80 | AKR1C3 (0.57) | AKR1C3AKR1C1RECQLHTTALDH1A1 | |
| SCHEMBL388142 | 0.80 | AKR1C3 (0.57) | AKR1C3AKR1C1RECQLHTTALDH1A1 | |
| SCHEMBL8993857 | 0.79 | AKR1C3 (0.50) | AKR1C3AKR1C1RECQLHTTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2268285-A1 | THERAPEUTIC COMPOUNDS | Merck Sharp & Dohme Corp. (US) | 2011-01-05 | — | — | EP | disclosed |
| WO-2009108507-A1 | THERAPEUTIC COMPOUNDS | MERCK & CO., INC. (US) | 2009-09-03 | — | — | WO | disclosed |