Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 1/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 2/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL24701101 | 0.77 | SOS1 (0.68) | HRH1CYP2A6CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8807380 | 0.77 | HRH1 (0.62) | HRH1CYP2A6CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28897283 | 0.74 | HRH1 (0.63) | HRH1CYP2A6CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13078255 | 0.72 | THRB (0.57) | HRH1CYP2A6CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL24701104 | 0.71 | HTR6 (0.56) | HRH1CYP2A6CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL30190001 | 0.70 | HRH1 (0.58) | HRH1CYP2A6CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL805141 | 0.70 | CYP2C19 (0.64) | HRH1CYP2A6CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10959812 | 0.70 | CYP2A6 (0.64) | HRH1CYP2A6CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL720013 | 0.70 | CYP2A6 (1.00) | HRH1CYP2A6CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL623853 | 0.70 | ALDH1A1 (0.65) | HRH1CYP2A6CYP2D6CYP2C9CYP2C19 |
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-5114462-A | Herbicides as plant growth regulators, phenoxypropionic acid esters and derivatives | CIBA-GEIGY CORPORATION (US) | 1992-05-19 | — | — | US | disclosed |
| US-5078780-A | Plant safening agents for use with herbicides | CIBA-GEIGY CORPORATION (US) | 1992-01-07 | — | — | US | disclosed |
| US-4944790-A | PLANT SAFENING AGENTS FOR USE WITH CERTAIN HERBICIDES | CIBA-GEIGY CORPORATION (US) | 1990-07-31 | — | — | US | disclosed |