Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.47 |
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA7 | P43166 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SCN1A | P35498 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16055171 | 0.90 | MEN1 (0.51) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL16055776 | 0.87 | CA12 (0.49) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL24408044 | 0.84 | KDM4E (0.51) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL1425609 | 0.84 | ESR1 (0.41) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL25276513 | 0.82 | CA12 (0.60) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL7930568 | 0.81 | CA12 (0.51) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL28201667 | 0.81 | CA12 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL289285 | 0.81 | CA12 (0.55) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL7930563 | 0.80 | CA12 (0.50) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL7730273 | 0.80 | ESR1 (0.56) | ESR1CA12CA1CA2CA7 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3055309-B1 | ANTAGONISTS OF SOMATOSTATIN RECEPTOR SUBTYPE 5 (SSTR5) | TAKEDA PHARMACEUTICALS CO (JP) | 2018-06-13 | — | — | EP | disclosed |