Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.41 |
| ▸ | RAB9A | P51151 | 8/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | NAMPT | P43490 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5249193 | 0.91 | NPC1 (0.42) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL5246566 | 0.90 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL5244507 | 0.89 | BRD4 (0.40) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL3111906 | 0.89 | SMPD1 (0.38) | BRD4DRD2DRD3 | |
| SCHEMBL5247629 | 0.88 | DGAT1 (0.34) | — | |
| SCHEMBL5249178 | 0.88 | SMPD1 (0.34) | ALDH1A1HPGDKDM4EBRD4DRD2 | |
| SCHEMBL5244268 | 0.87 | PDK2 (0.35) | POLBDRD2DRD3 | |
| SCHEMBL3116642 | 0.87 | TP53 (0.40) | SMN1; SMN2HPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5246240 | 0.87 | NPC1 (0.39) | NPC1RAB9ASMN1; SMN2ALDH1A1BRD4 | |
| SCHEMBL5247112 | 0.87 | MLYCD (0.40) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPT |
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 |