Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 7/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL2850129 | 0.91 | ALDH1A1 (0.52) | ALDH1A1HTTHPGDMAPK1RAB9A | |
| SCHEMBL2848518 | 0.88 | ALDH1A1 (0.58) | ALDH1A1HTTHPGDMAPK1RAB9A | |
| SCHEMBL2861682 | 0.87 | ALDH1A1 (0.48) | ALDH1A1HTTHPGDMAPK1SMN1; SMN2 | |
| SCHEMBL2857977 | 0.85 | ALDH1A1 (0.47) | ALDH1A1HTTHPGDMAPK1SMN1; SMN2 | |
| SCHEMBL2856388 | 0.83 | TRPV1 (0.51) | ALDH1A1HTTSMN1; SMN2POLBKMT2A | |
| SCHEMBL2854686 | 0.83 | SMN1; SMN2 (0.52) | ALDH1A1HTTHPGDMAPK1RAB9A | |
| SCHEMBL2857366 | 0.83 | CCR1 (0.47) | KDM4E | |
| SCHEMBL2854333 | 0.83 | RAB9A (0.52) | ALDH1A1HTTHPGDMAPK1RAB9A | |
| SCHEMBL2856620 | 0.81 | ALDH1A1 (0.50) | ALDH1A1HTTHPGDMAPK1SMN1; SMN2 | |
| SCHEMBL2863326 | 0.81 | TP53 (0.53) | ALDH1A1HTTHPGDSMN1; SMN2KMT2A |
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-1451160-B1 | PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN | ICAGEN INC (US) | 2010-01-13 | — | — | EP | claimed |