Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | GAA | P10253 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 9/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4720839 | 1.00 | ALDH1A1 (0.42) | ALDH1A1GAACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4719590 | 0.88 | GAA (0.42) | ALDH1A1GAACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4719588 | 0.88 | GAA (0.42) | ALDH1A1GAACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4723626 | 0.87 | ALDH1A1 (0.45) | ALDH1A1GAACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4724102 | 0.86 | NPSR1 (0.51) | ALDH1A1GAACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4723538 | 0.84 | GAA (0.39) | ALDH1A1GAACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4723540 | 0.84 | GAA (0.39) | ALDH1A1GAACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4723539 | 0.84 | GAA (0.39) | ALDH1A1GAACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4721293 | 0.81 | NPSR1 (0.43) | ALDH1A1GAACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4721290 | 0.81 | NPSR1 (0.43) | ALDH1A1GAACYP1A2CYP2C9CYP2C19 |
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 |