Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.43 |
| ▸ | EBP | Q15125 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 3/20 | 0.39 |
| ▸ | DRD3 | P35462 | 3/20 | 0.39 |
| ▸ | DRD4 | P21917 | 2/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11652005 | 0.90 | CYP2D6 (0.48) | CYP2D6CYP2C9TSHRCYP1A2CYP2C19 | |
| SCHEMBL11650397 | 0.86 | CYP2D6 (0.52) | CYP2D6CYP2C9TSHRCYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL11645914 | 0.84 | CYP2D6 (0.51) | CYP2D6CYP2C9TSHRCYP1A2CYP2C19 | |
| SCHEMBL11645964 | 0.83 | CYP2D6 (0.49) | CYP2D6CYP2C9TSHRCYP1A2CYP2C19 | |
| SCHEMBL11648428 | 0.82 | CYP2D6 (0.48) | CYP2D6CYP2C9TSHRCYP1A2CYP2C19 | |
| SCHEMBL11651238 | 0.80 | CYP2D6 (0.57) | CYP2D6CYP2C9TSHRCYP1A2CYP2C19 | |
| SCHEMBL11649036 | 0.80 | CYP2D6 (0.46) | CYP2D6CYP2C9TSHRCYP1A2CYP2C19 | |
| SCHEMBL11648703 | 0.79 | CYP2D6 (0.55) | CYP2D6CYP2C9TSHRCYP1A2CYP2C19 | |
| SCHEMBL11651036 | 0.79 | NOS2 (0.49) | CYP2D6CYP2C9TSHRCYP1A2CYP2C19 | |
| SCHEMBL11592409 | 0.79 | CYP2D6 (0.55) | CYP2D6CYP2C9TSHRCYP1A2CYP2C19 |
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-4073942-A | Halo-substituted hydroxybenzyl-amines as secretolytic agents | BOEHRINGER INGELHEIM GMBH (DT) | 1978-02-14 | — | — | US | disclosed |