Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.39 |
| ▸ | RAB9A | P51151 | 7/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.39 |
| ▸ | ALPG | P10696 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.36 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MAP3K14 | Q99558 | 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 | |
|---|---|---|---|---|
| SCHEMBL10334301 | 0.88 | NPC1 (0.39) | NPC1RAB9ACASP3SENP7ALPG | |
| SCHEMBL3518868 | 0.88 | NPC1 (0.41) | NPC1RAB9ACASP3SENP7ALPG | |
| Hydrochloric Acid SCHEMBL10334239 | 0.87 | NPC1 (0.40) | NPC1RAB9ACASP3SENP7ALPG | |
| SCHEMBL10334532 | 0.84 | ALPG (0.41) | NPC1RAB9ACASP3SENP7ALPG | |
| SCHEMBL10334530 | 0.83 | ALPG (0.38) | NPC1RAB9ACASP3SENP7ALPG | |
| SCHEMBL3518175 | 0.82 | NPC1 (0.41) | NPC1RAB9ACASP3SENP7ALPG | |
| SCHEMBL10334356 | 0.82 | NPC1 (0.39) | NPC1RAB9ACASP3SENP7ALPG | |
| SCHEMBL10335957 | 0.81 | ALOX15 (0.43) | NPC1RAB9AMAPTSMN1; SMN2TP53 | |
| SCHEMBL10334372 | 0.77 | ALPG (0.38) | NPC1RAB9ACASP3SENP7ALPG | |
| SCHEMBL11362870 | 0.77 | PPARA (0.39) | ALPGKCNE1KCNQ1 |
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-4948797-A | 2,2-disubstitued 2,3-dihydro-1,4-benzodioxin derivatives having hypotensive activity | ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) | 1990-08-14 | — | — | US | disclosed |