Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 10/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | TDO2 | P48775 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | NAMPT | P43490 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9783777 | 0.89 | TAAR1 (0.45) | TAAR1HTR1ACYP19A1CYP2D6TSHR | |
| SCHEMBL9784008 | 0.82 | CYP19A1 (0.32) | CYP19A1IDO1TDO2 | |
| SCHEMBL9783975 | 0.75 | TAAR1 (0.41) | TAAR1HTR1ACYP2D6TSHRADRA2A | |
| SCHEMBL9784069 | 0.75 | TAAR1 (0.40) | TAAR1HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL9783770 | 0.74 | TAAR1 (0.45) | TAAR1HTR1ACYP2D6TSHRLMNA | |
| SCHEMBL9783070 | 0.73 | TAAR1 (0.49) | TAAR1HTR1ACYP19A1CYP2D6TSHR | |
| SCHEMBL9784000 | 0.72 | TAAR1 (0.40) | TAAR1HTR1A | |
| SCHEMBL9783511 | 0.71 | TAAR1 (0.44) | TAAR1HTR1ACYP2D6TSHRLMNA | |
| SCHEMBL9783004 | 0.71 | HTR1B (0.43) | CYP19A1 | |
| SCHEMBL9783878 | 0.70 | — | — |
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-5051514-A | Complexing boranes and imidazoles | CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) | 1991-09-24 | — | — | US | disclosed |
| EP-0432987-A2 | Fungicidal organoborane imidazole compounds and intermediates therefor | CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) | 1991-06-19 | — | — | EP | disclosed |
| US-4983589-A | Fungicidal imidazole diphenylaliphaticboranes and derivatives thereof | CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) | 1991-01-08 | — | — | US | disclosed |