Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 9/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 6/20 | 0.38 |
| ▸ | HRH1 | P35367 | 4/20 | 0.38 |
| ▸ | HTR2B | P41595 | 4/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6876965 | 1.00 | ALDH1A1 (0.41) | ALDH1A1TP53CYP3A4SMN1; SMN2NPC1 | |
| SCHEMBL6873036 | 1.00 | ALDH1A1 (0.41) | ALDH1A1TP53CYP3A4SMN1; SMN2NPC1 | |
| SCHEMBL6874437 | 1.00 | ALDH1A1 (0.41) | ALDH1A1TP53CYP3A4SMN1; SMN2NPC1 | |
| SCHEMBL6876969 | 1.00 | ALDH1A1 (0.41) | ALDH1A1TP53CYP3A4SMN1; SMN2NPC1 | |
| SCHEMBL6874431 | 1.00 | ALDH1A1 (0.41) | ALDH1A1TP53CYP3A4SMN1; SMN2NPC1 | |
| SCHEMBL6873027 | 1.00 | ALDH1A1 (0.41) | ALDH1A1TP53CYP3A4SMN1; SMN2NPC1 | |
| SCHEMBL6875489 | 1.00 | ALDH1A1 (0.41) | ALDH1A1TP53CYP3A4SMN1; SMN2NPC1 | |
| SCHEMBL6876043 | 0.99 | SMN1; SMN2 (0.41) | ALDH1A1TP53CYP3A4SMN1; SMN2NPC1 | |
| SCHEMBL6876047 | 0.99 | SMN1; SMN2 (0.41) | ALDH1A1TP53CYP3A4SMN1; SMN2NPC1 | |
| SCHEMBL6877046 | 0.96 | NPC1 (0.40) | SMN1; SMN2NPC1RAB9AMCHR1ADRA2A |
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-1464335-A2 | Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist | Taisho Pharmaceutical Co. Ltd. (JP) | 2004-10-06 | — | — | EP | disclosed |