Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 4/20 | 0.34 |
| ▸ | DRD2 | P14416 | 4/20 | 0.34 |
| ▸ | HTR2A | P28223 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | CCNC | P24863 | 1/20 | 0.30 |
| ▸ | CDK8 | P49336 | 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 | |
|---|---|---|---|---|
| SCHEMBL8711596 | 0.71 | NPC1 (0.50) | NPC1ALDH1A1RAB9ASMN1; SMN2HTR1A | |
| SCHEMBL5767071 | 0.61 | KDM4E (0.62) | HTR1ADRD2HTR2AMAPT | |
| SCHEMBL8471922 | 0.61 | CHRNB2 (0.37) | NPC1ALDH1A1RAB9ASMN1; SMN2HTR1A | |
| Hydrochloric Acid SCHEMBL29282529 | 0.60 | KDM4E (0.65) | HTR1ADRD2HTR2AMAPT | |
| Hydrochloric Acid SCHEMBL30890993 | 0.60 | KDM4E (0.65) | HTR1ADRD2HTR2AMAPT | |
| SCHEMBL1121782 | 0.59 | CCNB2 (0.44) | ALDH1A1SMN1; SMN2MAPTHTT | |
| SCHEMBL21678219 | 0.57 | HTR1A (0.43) | HTR1ADRD2HTR2A | |
| SCHEMBL21633550 | 0.57 | HTR1A (0.47) | ALDH1A1SMN1; SMN2HTR1ADRD2HTR2A | |
| SCHEMBL13898982 | 0.57 | HTR1D (0.44) | DRD2HTR2A | |
| SCHEMBL8346968 | 0.56 | PER2 (0.35) | NPC1ALDH1A1RAB9ASMN1; SMN2HTR1A |
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-5874435-A | PSYCHOLOGICAL DISORDERS; ANALGESICS | HOECHST MARION ROUSSEL, INC. (US) | 1999-02-23 | — | — | US | disclosed |