Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | MAN2B1 | O00754 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | XBP1 | P17861 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL27881190 | 1.00 | CA12 (0.52) | CA12CA1CA2CA9TSHR | |
| SCHEMBL6646583 | 0.95 | CA12 (0.48) | CA12CA1CA2CA9TSHR | |
| SCHEMBL14937974 | 0.92 | CA12 (0.47) | CA12CA1CA2CA9TSHR | |
| SCHEMBL3377039 | 0.92 | CA12 (0.47) | CA12CA1CA2CA9TSHR | |
| SCHEMBL2378473 | 0.90 | CA12 (0.45) | CA12CA1CA2CA9TSHR | |
| SCHEMBL1231703 | 0.83 | CA12 (0.39) | CA12CA1CA2CA9TSHR | |
| SCHEMBL1862926 | 0.83 | CA12 (0.39) | CA12CA1CA2CA9TSHR | |
| SCHEMBL27518151 | 0.78 | CA12 (0.37) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL31251875 | 0.74 | — | — | |
| SCHEMBL21850310 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011119704-A1 | TRPV4 ANTAGONISTS | GLAXOSMITHKLINE LLC (US) | 2011-09-29 | — | — | WO | disclosed |