Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.60 |
| ▸ | PDE2A | O00408 | 1/20 | 0.60 |
| ▸ | PDE5A | O76074 | 1/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.60 |
| ▸ | APEX1 | P27695 | 1/20 | 0.60 |
| ▸ | PDE4A | P27815 | 1/20 | 0.60 |
| ▸ | BLM | P54132 | 1/20 | 0.60 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.60 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.60 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.60 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.60 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.60 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2029532 | 0.83 | ALDH1A1 (0.46) | ALDH1A1CYP3A4PDE7APDE2APDE5A | |
| SCHEMBL27895288 | 0.83 | PDE7A (0.48) | ALDH1A1CYP3A4PDE7APDE2APDE5A | |
| SCHEMBL3589341 | 0.81 | ALDH1A1 (0.44) | ALDH1A1CYP3A4PDE7APDE2APDE5A | |
| SCHEMBL31195189 | 0.80 | ALDH1A1 (0.65) | ALDH1A1CYP3A4PDE7APDE2APDE5A | |
| SCHEMBL1870872 | 0.80 | TRPV4 (0.53) | ALDH1A1PDE7AKMT2AMEN1PKM | |
| SCHEMBL19071925 | 0.80 | ALDH1A1 (0.48) | ALDH1A1PDE7ACYP2C19KMT2AMEN1 | |
| SCHEMBL6194504 | 0.80 | PDE7A (0.49) | ALDH1A1PDE7AKMT2AMEN1PKM | |
| SCHEMBL8142655 | 0.80 | PDE7A (0.46) | ALDH1A1PDE7ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5759569 | 0.79 | CA12 (0.53) | ALDH1A1CYP3A4PDE7APDE2APDE5A | |
| SCHEMBL29451698 | 0.78 | ALDH1A1 (0.77) | ALDH1A1CYP3A4PDE7APDE2APDE5A |
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-4184867-A | Cycloalkanecarboxanilide derivative herbicides | SHELL OIL COMPANY (US) | 1980-01-22 | — | — | US | disclosed |