Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9526036 | 0.94 | ALDH1A1 (0.43) | ALDH1A1HPGDNPC1RAB9ATRPV1 | |
| SCHEMBL9525296 | 0.94 | ALDH1A1 (0.43) | ALDH1A1HPGDNPC1RAB9ATRPV1 | |
| SCHEMBL9525424 | 0.93 | ALDH1A1 (0.43) | ALDH1A1HPGDNPC1RAB9ATRPV1 | |
| SCHEMBL9524400 | 0.92 | ALDH1A1 (0.41) | ALDH1A1HPGDNPC1RAB9ATRPV1 | |
| SCHEMBL9524184 | 0.92 | ALDH1A1 (0.47) | ALDH1A1HPGDNPC1RAB9ATRPV1 | |
| SCHEMBL9525568 | 0.91 | ALDH1A1 (0.40) | ALDH1A1HPGDNPC1RAB9ATRPV1 | |
| SCHEMBL9525208 | 0.91 | ALDH1A1 (0.40) | ALDH1A1HPGDNPC1RAB9ATRPV1 | |
| SCHEMBL9528356 | 0.91 | ALDH1A1 (0.41) | ALDH1A1HPGDNPC1RAB9ATRPV1 | |
| SCHEMBL9524016 | 0.88 | ALDH1A1 (0.41) | ALDH1A1HPGDNPC1RAB9ATRPV1 | |
| SCHEMBL9524974 | 0.87 | ALDH1A1 (0.41) | ALDH1A1HPGDNPC1RAB9ATRPV1 |
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 3 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 |
| US-4962113-A | PLATELET ACTIVATING FACTOR ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD (JP) | 1990-10-09 | — | — | US | disclosed |
| EP-0301751-A1 | Pyridinium derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1989-02-01 | — | — | EP | disclosed |