Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.33 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.33 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.33 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.33 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.33 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 2/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | APLNR | P35414 | 1/20 | 0.31 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.31 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.31 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9783934 | 0.76 | CYP19A1 (0.35) | GPBAR1GRM5CYP17A1CYP1A2GRM4 | |
| SCHEMBL9783833 | 0.70 | HSD11B1 (0.33) | GPBAR1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL9783820 | 0.63 | HSD11B1 (0.32) | GPBAR1P2RX7GRM5GRM4MEN1 | |
| SCHEMBL9783945 | 0.61 | CYP19A1 (0.43) | P2RX7CYP1A2MEN1KMT2ALMNA | |
| SCHEMBL9783925 | 0.59 | KDM4E (0.34) | CYP17A1CYP1A2MEN1GAAKMT2A | |
| SCHEMBL1440318 | 0.59 | MYC (0.42) | P2RX7CYP17A1CYP1A2GRM4MEN1 | |
| SCHEMBL29562262 | 0.59 | MYC (0.42) | P2RX7CYP17A1CYP1A2GRM4MEN1 | |
| SCHEMBL884676 | 0.57 | KCNA5 (0.57) | — | |
| SCHEMBL9783879 | 0.56 | CYP19A1 (0.35) | CYP17A1ADRA1AMEN1KMT2ATP53 | |
| SCHEMBL3711849 | 0.56 | SCN8A (0.46) | SCN8AHTR7MEN1KMT2A |
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 |