Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | PGR | P06401 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | PDE4A | P27815 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HRH1 | P35367 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.48 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11552880 | 0.95 | ALDH1A1 (0.45) | ALDH1A1LMNACYP1A2CYP2C19HTT | |
| SCHEMBL11548482 | 0.94 | CNR1 (0.45) | ALDH1A1LMNACYP1A2CYP2C19HTT | |
| SCHEMBL11552235 | 0.93 | ALDH1A1 (0.45) | ALDH1A1LMNACYP1A2CYP2C19HTT | |
| SCHEMBL11547893 | 0.93 | SLC22A12 (0.46) | ALDH1A1LMNACYP1A2CYP2C19HTT | |
| SCHEMBL11548550 | 0.93 | ALDH1A1 (0.46) | ALDH1A1LMNACYP1A2CYP2C19HTT | |
| SCHEMBL11552140 | 0.90 | CNR1 (0.45) | ALDH1A1LMNACYP1A2CYP2C19HTT | |
| SCHEMBL11556350 | 0.89 | HPGD (0.46) | ALDH1A1LMNACYP2C19CYP2D6HPGD | |
| SCHEMBL11547983 | 0.89 | SLC22A12 (0.43) | ALDH1A1LMNACYP1A2CYP2C19HTT | |
| SCHEMBL11549952 | 0.89 | CNR1 (0.43) | ALDH1A1LMNACYP1A2CYP2C19HTT | |
| SCHEMBL11552591 | 0.88 | SLC22A12 (0.44) | ALDH1A1CYP2C19CYP2D6HPGDSLC22A12 |
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-4133814-A | ANTITUMOR AGENTS | ELI LILLY AND COMPANY (US) | 1979-01-09 | — | — | US | disclosed |