Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLYCD | O95822 | 2/20 | 0.40 |
| ▸ | NAMPT | P43490 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | IDE | P14735 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5249178 | 0.91 | SMPD1 (0.34) | ALDH1A1HPGDKDM4EBRD4 | |
| SCHEMBL5249551 | 0.90 | NPC1 (0.40) | NAMPTALDH1A1HPGDMAPTSMN1; SMN2 | |
| SCHEMBL5248477 | 0.90 | BRD4 (0.47) | NAMPTALDH1A1CYP2D6CYP2C9HPGD | |
| SCHEMBL5244268 | 0.90 | PDK2 (0.35) | — | |
| SCHEMBL3111906 | 0.90 | SMPD1 (0.38) | BRD4 | |
| SCHEMBL5247405 | 0.89 | MLYCD (0.41) | MLYCDNAMPTALDH1A1CYP2D6CYP2C9 | |
| SCHEMBL3113644 | 0.89 | BRD4 (0.40) | MLYCDALDH1A1CYP2D6CYP2C9HPGD | |
| SCHEMBL3116642 | 0.88 | TP53 (0.40) | CYP2C9HPGDCYP2C19CYP1A2SMN1; SMN2 | |
| SCHEMBL5246240 | 0.88 | NPC1 (0.39) | NAMPTALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL5244580 | 0.88 | EPHX2 (0.35) | NPC1RAB9ABRD4 |
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-1867331-A1 | TRIAZOLE DERIVATIVE AND THE USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2007-12-19 | — | — | EP | disclosed |