Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | GBA1 | P04062 | 1/20 | 0.53 |
| ▸ | CNR1 | P21554 | 1/20 | 0.53 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.53 |
| ▸ | HRH2 | P25021 | 1/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11593068 | 1.00 | CYP2D6 (0.53) | CYP2D6CYP1A2HIF1ALMNAGBA1 | |
| SCHEMBL11591816 | 0.85 | CYP1A2 (0.46) | CYP2D6CYP1A2HIF1ALMNAGBA1 | |
| SCHEMBL11591819 | 0.85 | CYP1A2 (0.46) | CYP2D6CYP1A2HIF1ALMNAGBA1 | |
| Dembrexine SCHEMBL1815355 | 0.85 | CYP2D6 (0.72) | CYP2D6CYP1A2HIF1ALMNAGBA1 | |
| Dembrexine SCHEMBL9247816 | 0.85 | CYP2D6 (0.72) | CYP2D6CYP1A2HIF1ALMNAGBA1 | |
| Dembrexine SCHEMBL9247402 | 0.84 | CYP3A4 (0.72) | CYP2D6CYP1A2HIF1ALMNAGBA1 | |
| Dembrexine SCHEMBL10426104 | 0.84 | CYP3A4 (0.72) | CYP2D6CYP1A2HIF1ALMNAGBA1 | |
| SCHEMBL11591619 | 0.84 | PABPC1 (0.39) | CYP2D6CYP1A2HIF1ALMNAGBA1 | |
| SCHEMBL11591623 | 0.84 | PABPC1 (0.39) | CYP2D6CYP1A2HIF1ALMNAGBA1 | |
| SCHEMBL11591841 | 0.80 | CYP2D6 (0.47) | CYP2D6CYP1A2HIF1ALMNAGBA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4113777-A | ANTISECRETORY, ANTITUSSIVE, ANTIULCER | BOEHRINGER INGELHEIM GMBH (DE) | 1978-09-12 | — | — | US | disclosed |
| US-4073942-A | Halo-substituted hydroxybenzyl-amines as secretolytic agents | BOEHRINGER INGELHEIM GMBH (DT) | 1978-02-14 | — | — | US | disclosed |