Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KAT6A | Q92794 | 2/20 | 0.37 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL9528522 | 0.88 | ALDH1A1 (0.45) | ALDH1A1NPC1RAB9ASLC16A3EGFR | |
| Hydrochloric Acid SCHEMBL9525309 | 0.84 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2KAT6ATPSAB1OPRD1 | |
| SCHEMBL9525705 | 0.82 | NPC1 (0.47) | ALDH1A1NPC1RAB9AEGFRSMN1; SMN2 | |
| SCHEMBL9526290 | 0.81 | NPC1 (0.44) | ALDH1A1NPC1RAB9AEGFRSMN1; SMN2 | |
| SCHEMBL9525476 | 0.80 | POLB (0.46) | ALDH1A1NPC1RAB9AEGFRSMN1; SMN2 | |
| SCHEMBL9525183 | 0.79 | POLB (0.45) | ALDH1A1NPC1RAB9AEGFRSMN1; SMN2 | |
| SCHEMBL9528250 | 0.79 | KDR (0.41) | ALDH1A1NPC1RAB9ASMN1; SMN2POLB | |
| SCHEMBL9524002 | 0.79 | NPC1 (0.44) | ALDH1A1NPC1RAB9ASMN1; SMN2OPRD1 | |
| SCHEMBL9525526 | 0.79 | POLB (0.44) | ALDH1A1NPC1RAB9ASMN1; SMN2POLB | |
| SCHEMBL9524110 | 0.79 | NPC1 (0.46) | ALDH1A1NPC1RAB9AEGFRSMN1; SMN2 |
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 |