Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | TNKS | O95271 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 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 | |
|---|---|---|---|---|
| SCHEMBL225383 | 0.79 | AKR1C3 (0.57) | AKR1C3CYP2C9CYP3A4AKR1C1TP53 | |
| SCHEMBL4731168 | 0.78 | AKR1C3 (0.47) | AKR1C3CYP2C9CYP3A4AKR1C1TP53 | |
| SCHEMBL10719619 | 0.78 | AKR1C3 (0.50) | AKR1C3CYP2C9CYP3A4AKR1C1TP53 | |
| SCHEMBL1805525 | 0.78 | AKR1C3 (0.50) | AKR1C3CYP2C9CYP3A4AKR1C1TP53 | |
| SCHEMBL525210 | 0.78 | AKR1C3 (0.55) | AKR1C3CYP2C9CYP3A4AKR1C1TP53 | |
| SCHEMBL525211 | 0.78 | AKR1C3 (0.55) | AKR1C3CYP2C9CYP3A4AKR1C1TP53 | |
| SCHEMBL7146881 | 0.78 | AKR1C3 (0.50) | AKR1C3CYP2C9CYP3A4AKR1C1TP53 | |
| SCHEMBL564118 | 0.78 | AKR1C3 (0.50) | AKR1C3CYP2C9CYP3A4AKR1C1TP53 | |
| SCHEMBL8054477 | 0.78 | AKR1C3 (0.50) | AKR1C3CYP2C9CYP3A4AKR1C1TP53 | |
| SCHEMBL17102367 | 0.76 | AKR1C3 (0.48) | AKR1C3CYP2C9CYP3A4AKR1C1TP53 |
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-1063888-A1 | NOVEL HIV INTEGRASE INHIBITORS AND HIV THERAPY BASED ON DRUG COMBINATIONS INCLUDING INTEGRASE INHIBITORS | The Regents of the University of California (US) | 2001-01-03 | — | — | EP | claimed |
| WO-1999048371-A1 | NOVEL HIV INTEGRASE INHIBITORS AND HIV THERAPY BASED ON DRUG COMBINATIONS INCLUDING INTEGRASE INHIBITORS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1999-09-30 | — | — | WO | claimed |