Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.39 |
| ▸ | ABAT | P80404 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | PLG | P00747 | 1/20 | 0.35 |
| ▸ | KLK1 | P06870 | 1/20 | 0.35 |
| ▸ | KLK6 | Q92876 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24741509 | 1.00 | HRH3 (0.41) | HRH3ESR1ESR2PSIP1LOXL2 | |
| SCHEMBL18509208 | 0.85 | HTR2A (0.45) | HRH3PSIP1HTR2A | |
| SCHEMBL9746668 | 0.84 | RIPK1 (0.43) | ESR1ESR2TAAR1 | |
| SCHEMBL20171497 | 0.84 | TAAR1 (0.52) | LOXL2TAAR1NOS3NOS1NOS2 | |
| SCHEMBL18685712 | 0.83 | TSHR (0.48) | ESR1ESR2TAAR1 | |
| SCHEMBL14644326 | 0.83 | ALDH1A1 (0.46) | HRH3ESR1ESR2PSIP1LOXL2 | |
| SCHEMBL24246248 | 0.83 | ALDH1A1 (0.46) | HRH3ESR1ESR2PSIP1LOXL2 | |
| SCHEMBL394465 | 0.83 | ALDH1A1 (0.46) | HRH3ESR1ESR2PSIP1LOXL2 | |
| SCHEMBL13645869 | 0.81 | ESR1 (0.53) | HRH3ESR1ESR2PSIP1LOXL2 | |
| Hydrochloric Acid SCHEMBL4985421 | 0.81 | ALDH1A1 (0.44) | HRH3ESR1ESR2PSIP1LOXL2 |
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-9670157-B2 | Benzylamine derivatives | KALVISTA PHARMACEUTICALS LIMITED (GB) | 2017-06-06 | — | — | US | disclosed |
| CN-101080399-A | Process for producing optically active epoxy compound, and complex and process for producing the same using the process | JAPAN SCIENCE & TECH AGENCY (JP) | 2007-11-28 | — | — | CN | disclosed |