Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GBA1 | P04062 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | HRH2 | P25021 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.32 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.32 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.32 |
| ▸ | PTPRB | P23467 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11621438 | 1.00 | ALDH1A1 (0.35) | ALDH1A1CYP1A2CYP2D6HIF1ACYP2C19 | |
| SCHEMBL11617126 | 0.90 | CYP2D6 (0.46) | ALDH1A1CYP1A2CYP2D6HIF1ACYP2C19 | |
| SCHEMBL11617119 | 0.86 | CYP2D6 (0.40) | ALDH1A1CYP1A2CYP2D6HIF1AHPGD | |
| SCHEMBL11618832 | 0.79 | CYP2D6 (0.43) | ALDH1A1CYP1A2CYP2D6HIF1ACYP2C19 | |
| SCHEMBL11617531 | 0.79 | CYP2D6 (0.40) | ALDH1A1CYP1A2CYP2D6HIF1ACYP2C19 | |
| SCHEMBL11619408 | 0.78 | ALDH1A1 (0.43) | ALDH1A1HPGDMEN1KMT2ALMNA | |
| SCHEMBL11619423 | 0.77 | ALDH1A1 (0.42) | ALDH1A1HPGDMEN1KMT2ALMNA | |
| SCHEMBL11616585 | 0.77 | CYP2D6 (0.40) | ALDH1A1CYP1A2CYP2D6HIF1ACYP2C19 | |
| SCHEMBL11622739 | 0.77 | CYP1A2 (0.53) | ALDH1A1CYP1A2CYP2D6HIF1ACYP2C19 | |
| SCHEMBL11616070 | 0.76 | CYP2D6 (0.52) | ALDH1A1CYP1A2CYP2D6HIF1ACYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4101671-A | ANTIULCEROGENICS | BOEHRINGER INGELHEIM GMBH (DE) | 1978-07-18 | — | — | US | disclosed |
| US-RE29628-E | ANTIULCER, SECRETOLYTICS, ANTITUSSIVE | BOEHRINGER INGELHEIM GMBH (DT) | 1978-05-09 | — | — | US | disclosed |
| US-3950393-A | ANTIULCER, ANTISECRETORY, ANTITUSSIVE AGENTS | BOEHRINGER INGELHEIM GMBH (DT) | 1976-04-13 | — | — | US | disclosed |