Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 6/20 | 0.33 |
| ▸ | RAB9A | P51151 | 6/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.33 |
| ▸ | ALPL | P05186 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10334288 | 0.87 | AKR1B1 (0.40) | AKR1B1CYP1A2CYP2C19NPC1RAB9A | |
| SCHEMBL10334301 | 0.83 | NPC1 (0.39) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL10334356 | 0.83 | NPC1 (0.39) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL10334331 | 0.81 | AKR1B1 (0.37) | AKR1B1CYP1A2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL10334295 | 0.81 | KDM4E (0.38) | CYP3A4NPC1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL10334214 | 0.76 | ALOX15 (0.48) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL10335047 | 0.74 | HTR2B (0.43) | CYP3A4NPC1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL3518175 | 0.70 | NPC1 (0.41) | AKR1B1NPC1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL3518868 | 0.70 | NPC1 (0.41) | AKR1B1NPC1RAB9ASMN1; SMN2MAPK1 | |
| Hydrochloric Acid SCHEMBL10334239 | 0.69 | NPC1 (0.40) | AKR1B1NPC1RAB9ASMN1; SMN2MAPK1 |
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 |