Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | S100B | P04271 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.30 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11366275 | 0.73 | ALDH1A1 (0.48) | ALDH1A1RAB9ALMNANPC1SMN1; SMN2 | |
| SCHEMBL7763414 | 0.72 | ALDH1A1 (0.43) | ALDH1A1PRSS1PRSS2PRSS3S1PR1 | |
| SCHEMBL10066014 | 0.70 | ALDH1A1 (0.42) | ALDH1A1PRSS1PRSS2PRSS3S1PR1 | |
| SCHEMBL346399 | 0.70 | ALDH1A1 (0.53) | ALDH1A1MAPTTDP1TSHR | |
| SCHEMBL13569447 | 0.70 | ALDH1A1 (0.42) | ALDH1A1PRSS1PRSS2PRSS3S1PR1 | |
| Hydrochloric Acid SCHEMBL2864667 | 0.69 | ALDH1A1 (0.50) | ALDH1A1MAPTTDP1TSHR | |
| SCHEMBL11379109 | 0.68 | CA2 (0.48) | ALDH1A1TSHR | |
| SCHEMBL28913745 | 0.67 | ALDH1A1 (0.44) | ALDH1A1PRSS1PRSS2PRSS3S1PR1 | |
| SCHEMBL29726705 | 0.67 | TDP1 (0.38) | ALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL11374460 | 0.67 | TDP1 (0.38) | ALDH1A1SMN1; SMN2TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4276295-A | VASODILATORS, HYPOTENSIVE, ANTIATHEROSCLEROTIC | Ishikawa, Masayuki (JP) | 1981-06-30 | — | — | US | disclosed |