Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2249174 | 1.00 | CA1 (0.44) | CA1CA2CA12CA9GAA | |
| SCHEMBL2241825 | 1.00 | CA1 (0.44) | CA1CA2CA12CA9GAA | |
| SCHEMBL2244600 | 0.95 | HTT (0.46) | CA1CA2CA12CA9GAA | |
| SCHEMBL27161625 | 0.91 | CYP2D6 (0.40) | KMT2AALDH1A1 | |
| SCHEMBL27161618 | 0.91 | CYP2D6 (0.40) | KMT2AALDH1A1 | |
| SCHEMBL4126869 | 0.91 | CYP2D6 (0.40) | KMT2AALDH1A1 | |
| SCHEMBL13741300 | 0.85 | CA1 (0.47) | CA1CA2CA12CA9GAA | |
| SCHEMBL31017910 | 0.85 | CA1 (0.47) | CA1CA2CA12CA9GAA | |
| SCHEMBL2239618 | 0.85 | GAA (0.50) | CA1CA2CA12CA9GAA | |
| SCHEMBL24777627 | 0.84 | CA1 (0.43) | CA1CA2CA12CA9GAA |
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-2632898-A1 | HETEROCYCLIC TYROSINE KINASE INHIBITORS | Biogen Idec MA Inc. (US) | 2013-09-04 | — | — | EP | disclosed |
| WO-2012058645-A1 | HETEROCYCLIC TYROSINE KINASE INHIBITORS | BIOGEN IDEC MA INC. (US) | 2012-05-03 | — | — | WO | disclosed |