Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.47 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.45 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.37 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30600696 | 0.87 | ALDH1A1 (0.51) | ALDH1A1MEN1CASP1KMT2AHTT | |
| SCHEMBL6852232 | 0.79 | ALDH1A1 (0.50) | ALDH1A1MEN1CASP1CASP7KMT2A | |
| SCHEMBL29580973 | 0.77 | CYP1A2 (0.46) | ALDH1A1CYP1A2CYP3A4ACACB | |
| SCHEMBL13046229 | 0.77 | CYP1A2 (0.46) | ALDH1A1CYP1A2CYP3A4ACACB | |
| SCHEMBL28189564 | 0.76 | NPC1 (0.58) | ALDH1A1CASP1CYP1A2CYP2C19HTT | |
| SCHEMBL2224500 | 0.76 | CYP1A2 (0.50) | CYP1A2 | |
| SCHEMBL1914269 | 0.76 | CYP1A1 (0.38) | CYP1A2GRM5 | |
| SCHEMBL6854251 | 0.75 | ALDH1A1 (0.46) | ALDH1A1MEN1CASP1CASP7KMT2A | |
| SCHEMBL6878742 | 0.75 | ALDH1A1 (0.53) | ALDH1A1MEN1CASP1CASP7KMT2A | |
| SCHEMBL740305 | 0.75 | ALDH1A1 (0.53) | ALDH1A1MEN1CASP1CASP7KMT2A |
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-5739338-A | SKIN DISORDERS, ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENTS, VISION DEFECTS, VIRICIDES, IMMUNOSUPPRESSANTS | ALLERGAN (US) | 1998-04-14 | — | — | US | disclosed |