Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 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 | |
|---|---|---|---|---|
| SCHEMBL9524940 | 0.89 | NPC1 (0.44) | NPC1RAB9AALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL9528580 | 0.89 | NPC1 (0.43) | NPC1RAB9AALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL9525983 | 0.88 | NPC1 (0.46) | NPC1RAB9AALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL9525375 | 0.88 | NPC1 (0.45) | NPC1RAB9AALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL9525465 | 0.87 | NPC1 (0.47) | NPC1RAB9AALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL9525328 | 0.86 | NPC1 (0.44) | NPC1RAB9AALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL9530668 | 0.86 | SMN1; SMN2 (0.49) | NPC1RAB9AALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL9526506 | 0.86 | NPC1 (0.44) | NPC1RAB9AALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL9525561 | 0.86 | NPC1 (0.43) | NPC1RAB9AALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL9525483 | 0.84 | ALDH1A1 (0.47) | NPC1RAB9AALDH1A1SMN1; SMN2LMNA |
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-0301751-B1 | PYRIDINIUM DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1993-03-10 | — | — | EP | disclosed |
| EP-0301751-A1 | Pyridinium derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1989-02-01 | — | — | EP | disclosed |