Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 7/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.63 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.60 |
| ▸ | TSHR | P16473 | 3/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.60 |
| ▸ | NOS3 | P29474 | 3/20 | 0.42 |
| ▸ | NOS1 | P29475 | 3/20 | 0.42 |
| ▸ | NOS2 | P35228 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 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 | |
|---|---|---|---|---|
| SCHEMBL11591465 | 0.86 | CYP2D6 (0.84) | CYP2D6CYP1A2CYP2C19HIF1ACYP2C9 | |
| SCHEMBL11592409 | 0.86 | CYP2D6 (0.55) | CYP2D6CYP1A2CYP2C19HIF1ACYP2C9 | |
| Hydrochloric Acid SCHEMBL11588843 | 0.85 | CYP2D6 (0.82) | CYP2D6CYP1A2CYP2C19HIF1ACYP2C9 | |
| SCHEMBL11592606 | 0.82 | CYP2D6 (0.63) | CYP2D6CYP1A2CYP2C19HIF1ACYP2C9 | |
| SCHEMBL11591167 | 0.82 | CYP2D6 (0.68) | CYP2D6CYP1A2CYP2C19HIF1ACYP2C9 | |
| Hydrochloric Acid SCHEMBL11588945 | 0.81 | CYP2D6 (0.66) | CYP2D6CYP1A2CYP2C19HIF1ACYP2C9 | |
| SCHEMBL11651238 | 0.80 | CYP2D6 (0.57) | CYP2D6CYP1A2CYP2C19HIF1ACYP2C9 | |
| SCHEMBL11591176 | 0.79 | CYP2D6 (0.82) | CYP2D6CYP1A2CYP2C19HIF1ACYP2C9 | |
| SCHEMBL11644696 | 0.79 | CYP2D6 (0.49) | CYP2D6CYP1A2CYP2C19HIF1ACYP2C9 | |
| SCHEMBL11649382 | 0.78 | CYP2D6 (0.55) | CYP2D6CYP1A2CYP2C19HIF1ACYP2C9 |
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 |