Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.57 |
| ▸ | NOS2 | P35228 | 3/20 | 0.53 |
| ▸ | NOS3 | P29474 | 2/20 | 0.53 |
| ▸ | NOS1 | P29475 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11651036 | 0.90 | NOS2 (0.49) | CYP2D6CYP2C19CYP1A2NOS2NOS3 | |
| SCHEMBL11644806 | 0.89 | NOS2 (0.55) | CYP2D6CYP2C19CYP1A2NOS2NOS3 | |
| SCHEMBL11645598 | 0.83 | CYP2D6 (0.57) | CYP2D6CYP2C19CYP1A2TSHRCYP2C9 | |
| SCHEMBL11650219 | 0.82 | NOS3 (0.53) | CYP2D6CYP2C19CYP1A2NOS2NOS3 | |
| SCHEMBL11592409 | 0.82 | CYP2D6 (0.55) | CYP2D6CYP2C19CYP1A2NOS2NOS3 | |
| SCHEMBL11650028 | 0.81 | NOS2 (0.54) | CYP2D6CYP2C19CYP1A2NOS2NOS3 | |
| SCHEMBL11645964 | 0.80 | CYP2D6 (0.49) | CYP2D6CYP2C19CYP1A2NOS2NOS3 | |
| SCHEMBL11649774 | 0.80 | CYP2D6 (0.49) | CYP2D6CYP2C19CYP1A2NOS2NOS3 | |
| SCHEMBL11591602 | 0.80 | CYP2D6 (0.63) | CYP2D6CYP2C19CYP1A2NOS2NOS3 | |
| SCHEMBL11592628 | 0.79 | CYP2D6 (0.58) | CYP2D6CYP2C19CYP1A2TSHRCYP2C9 |
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 |