Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ABL1 | P00519 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.45 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2861272 | 0.85 | MAPT (0.47) | MAPTAKR1C2AKR1C3KDM4EABL1 | |
| SCHEMBL15225737 | 0.76 | LCK (0.40) | MAPTKDM4EABL1POLBRECQL | |
| SCHEMBL15225693 | 0.76 | TRPA1 (0.35) | MAPTKDM4EABL1POLBRECQL | |
| SCHEMBL2862132 | 0.74 | CYP3A4 (0.45) | MAPTAKR1C2AKR1C3CYP2D6CYP2C19 | |
| SCHEMBL2865471 | 0.74 | CYP3A4 (0.45) | MAPTAKR1C2AKR1C3CYP2D6CYP2C19 | |
| SCHEMBL2862959 | 0.72 | PTGS2 (0.42) | MAPTPOLBCYP2D6CYP2C19CYP3A4 | |
| SCHEMBL15225594 | 0.72 | STS (0.46) | MAPTKDM4EABL1POLBRECQL | |
| SCHEMBL9513194 | 0.71 | NPC1 (0.53) | MAPTPOLBCYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL3468140 | 0.71 | SRD5A2 (0.68) | MAPTAKR1C2AKR1C3KDM4EPOLB | |
| SCHEMBL2858867 | 0.71 | NFKB1 (0.43) | MAPTCYP2D6CYP2C19CYP3A4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1642880-B1 | HSP90 FAMILY PROTEIN INHIBITORS | KYOWA HAKKO KIRIN CO LTD (JP) | 2013-09-04 | — | — | EP | disclosed |