Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.36 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.36 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.36 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.31 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.30 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL17698457 | 0.77 | ORAI1 (0.36) | ORAI1ORAI2ORAI3TRPV6CYP3A4 | |
| SCHEMBL3274668 | 0.74 | TAAR1 (0.33) | TAAR1SLC18A2SIGMAR1CYP3A4ALOX15 | |
| SCHEMBL2407845 | 0.70 | ORAI1 (0.40) | ORAI1ORAI2ORAI3TRPV6TAAR1 | |
| SCHEMBL7461066 | 0.69 | ORAI1 (0.52) | ORAI1ORAI2ORAI3TRPV6TAAR1 | |
| SCHEMBL17698460 | 0.69 | KDM4E (0.47) | ORAI1ORAI2ORAI3TRPV6TAAR1 | |
| SCHEMBL2404970 | 0.67 | CYP3A4 (0.49) | ORAI1ORAI2ORAI3TRPV6TAAR1 | |
| SCHEMBL3463761 | 0.66 | ORAI1 (0.48) | ORAI1ORAI2ORAI3TRPV6TAAR1 | |
| SCHEMBL3274036 | 0.63 | KDM4E (0.32) | KDM4EALDH1A1 | |
| SCHEMBL17698458 | 0.62 | LYPLA1 (0.64) | ORAI1ORAI2ORAI3TRPV6TAAR1 | |
| SCHEMBL3274671 | 0.62 | TAAR1 (0.38) | TAAR1SIGMAR1CYP3A4KDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1961756-B1 | NOVEL BISBORON COMPOUND | JAPAN SCIENCE & TECH AGENCY (JP) | 2016-04-27 | — | — | EP | claimed |
| EP-1961756-B1 | NOVEL BISBORON COMPOUND | JAPAN SCIENCE & TECH AGENCY (JP) | 2016-04-27 | — | — | EP | disclosed |