Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GPR88 | Q9GZN0 | 4/20 | 0.34 |
| ▸ | HTR1B | P28222 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | NPY5R | Q15761 | 7/20 | 0.34 |
| ▸ | NPY2R | P49146 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | ACACA | Q13085 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2404635 | 0.88 | HTR1D (0.32) | HTR1DALDH1A1GPR88HTR1B | |
| SCHEMBL17698452 | 0.79 | CHRNB2 (0.40) | CA1CA2ALDH1A1LTA4HNPY5R | |
| SCHEMBL3274019 | 0.78 | CA1 (0.39) | HTR1DCA1CA2ALDH1A1GPR88 | |
| SCHEMBL4578363 | 0.66 | ALDH1A1 (0.47) | HTR1DALDH1A1 | |
| SCHEMBL8285875 | 0.66 | ALDH1A1 (0.47) | HTR1DALDH1A1 | |
| SCHEMBL8285888 | 0.66 | ALDH1A1 (0.47) | HTR1DALDH1A1 | |
| SCHEMBL1964722 | 0.66 | ALDH1A1 (0.55) | HTR1DALDH1A1GPR88 | |
| SCHEMBL1964723 | 0.66 | ALDH1A1 (0.55) | HTR1DALDH1A1GPR88 | |
| SCHEMBL4110424 | 0.66 | ALDH1A1 (0.55) | HTR1DALDH1A1GPR88 | |
| SCHEMBL8695931 | 0.65 | LTA4H (0.47) | ALDH1A1GPR88LTA4HACACBACACA |
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 |