Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | RGS12 | O14924 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4970183 | 0.90 | AKR1B1 (0.47) | AKR1B1CYP1A2CYP2C19LMNAGAA | |
| SCHEMBL4402323 | 0.85 | AKR1B1 (0.62) | AKR1B1CYP1A2CYP2C19LMNAGAA | |
| SCHEMBL19258592 | 0.84 | MEN1 (0.43) | LMNAMEN1KMT2A | |
| SCHEMBL3114737 | 0.83 | AKR1B1 (0.56) | AKR1B1CYP1A2CYP2C19LMNAGAA | |
| SCHEMBL70565 | 0.82 | AKR1B1 (0.71) | AKR1B1CYP1A2CYP2C19LMNAGAA | |
| SCHEMBL289960 | 0.81 | AKR1B1 (0.46) | AKR1B1CYP1A2CYP2C19LMNAGAA | |
| SCHEMBL289958 | 0.81 | AKR1B1 (0.46) | AKR1B1CYP1A2CYP2C19LMNAGAA | |
| SCHEMBL8503304 | 0.81 | ALDH1A1 (0.55) | AKR1B1LMNAGAATSHRKDM4E | |
| Hydrochloric Acid SCHEMBL8922940 | 0.80 | AKR1B1 (0.68) | AKR1B1CYP1A2CYP2C19LMNAGAA | |
| SCHEMBL290033 | 0.80 | SLC7A5 (0.54) | LMNAGAATSHRKDM4EMAPT |
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-4536592-A | ANTISECRETORY AGENT | G. D. SEARLE & CO. (US) | 1985-08-20 | — | — | US | disclosed |