Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SCD | O00767 | 3/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 3/20 | 0.32 |
| ▸ | HTR2B | P41595 | 3/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 2/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4724929 | 0.90 | SCD (0.32) | BRAFSCDNTRK1HTR2CHTR2B | |
| SCHEMBL4723445 | 0.87 | SMN1; SMN2 (0.35) | BRAFSMN1; SMN2SCDHTR2CHTR2B | |
| SCHEMBL4720876 | 0.83 | CYP11B1 (0.33) | NTRK1HTR2CHTR2BF10HTR2A | |
| SCHEMBL4764976 | 0.82 | CNR1 (0.34) | BRAFNTRK1CYP1A2KDM4ECYP3A4 | |
| SCHEMBL14101738 | 0.82 | LRRK2 (0.33) | NTRK1F10 | |
| SCHEMBL4719266 | 0.82 | LRRK2 (0.33) | NTRK1F10 | |
| SCHEMBL4722572 | 0.81 | PDE4A (0.37) | SMN1; SMN2SCDCYP1A2KDM4EKMT2A | |
| SCHEMBL4722103 | 0.81 | L3MBTL1 (0.35) | KMT2AALDH1A1GAA | |
| SCHEMBL4722266 | 0.80 | PDE4A (0.36) | SMN1; SMN2SCDF10KDM4EKMT2A | |
| SCHEMBL4721347 | 0.80 | PDE4A (0.34) | SMN1; SMN2SCDHTR2CHTR2BF10 |
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-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |