Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.36 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.34 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.34 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.34 |
| ▸ | NAAA | Q02083 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Butyl Alcohol SCHEMBL6712787 | 0.85 | ALDH1A1 (0.52) | CYP1A2TSHRTHRBEPHX1S1PR4 | |
| Hexane SCHEMBL11579820 | 0.81 | ALDH1A1 (0.53) | CYP1A2TSHRTHRBEPHX1GNAI3 | |
| SCHEMBL29023317 | 0.79 | ALOX5 (0.47) | CYP1A2TSHRTHRBEPHX1S1PR4 | |
| Cyclohexane SCHEMBL27371214 | 0.79 | CYP1A2 (0.55) | CYP1A2TSHRTHRBEPHX1GNAI3 | |
| Hexadecane SCHEMBL5581809 | 0.79 | ALDH1A1 (0.50) | CYP1A2TSHRTHRBEPHX1GNAI3 | |
| Decane SCHEMBL11509639 | 0.79 | ALDH1A1 (0.50) | CYP1A2TSHRTHRBEPHX1GNAI3 | |
| Decane SCHEMBL5581807 | 0.79 | ALDH1A1 (0.50) | CYP1A2TSHRTHRBEPHX1GNAI3 | |
| Propylamine SCHEMBL1782620 | 0.78 | — | — | |
| SCHEMBL9639723 | 0.78 | GBA1 (0.38) | TSHRTHRBNAAAALDH1A1TDP1 | |
| SCHEMBL9639729 | 0.78 | GBA1 (0.38) | TSHRTHRBNAAAALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101272781-A | Novel 1-aryl-3-azabicyclo [3.1.0] hexanes: processes for their preparation and their use for the treatment of neuropsychiatric disorders | DOV PHARMACEUTICAL INC (US) | 2008-09-24 | — | — | CN | disclosed |