Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | PLK1 | P53350 | 1/20 | 0.45 |
| ▸ | EHMT2 | Q96KQ7 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9412697 | 0.90 | SMN1; SMN2 (0.47) | HDAC1MAPTHPGDTP53ITGB3 | |
| SCHEMBL9412477 | 0.88 | HDAC1 (0.42) | HDAC1HDAC8TP53ITGB3ITGA2B | |
| SCHEMBL9412515 | 0.88 | JAK2 (0.47) | ITGB3ITGA2BBRD4ROCK2 | |
| SCHEMBL9412609 | 0.87 | HDAC1 (0.44) | HDAC1TP53ITGB3ITGA2BBRD4 | |
| SCHEMBL9412505 | 0.85 | TSHR (0.45) | HDAC1HDAC8ALDH1A1HPGDCYP2D6 | |
| SCHEMBL9412623 | 0.85 | MAPT (0.46) | RAB9AMAPTITGB3ITGA2BSMN1; SMN2 | |
| SCHEMBL9412591 | 0.84 | MAPT (0.51) | RAB9AMAPTKDM4EALDH1A1HPGD | |
| Bromide SCHEMBL9412639 | 0.83 | ITGB3 (0.51) | HDAC1MAPTTP53ITGB3ITGA2B | |
| SCHEMBL9412452 | 0.83 | MAPT (0.44) | RAB9AMAPTITGB3ITGA2BSMN1; SMN2 | |
| SCHEMBL9412586 | 0.82 | RORC (0.46) | HDAC1ITGB3ITGA2BBRD4ROCK2 |
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-0611660-A2 | Condensed 5-membered heterocycles, process for their preparation and medicines containing these compounds | Dr. Karl Thomae GmbH (DE) | 1994-08-24 | — | — | EP | disclosed |