Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.57 |
| ▸ | CA2 | P00918 | 5/20 | 0.57 |
| ▸ | CA7 | P43166 | 5/20 | 0.57 |
| ▸ | CA9 | Q16790 | 5/20 | 0.57 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.38 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14939484 | 0.80 | CA1 (0.57) | CA1CA2CA7CA9PDK2 | |
| SCHEMBL14939587 | 0.80 | NSD2 (0.39) | CA1CA2CA7CA9PDK2 | |
| SCHEMBL14939980 | 0.80 | CA1 (0.59) | CA1CA2CA7CA9PDK2 | |
| SCHEMBL14939057 | 0.80 | ALDH1A1 (0.52) | CA1CA2CA7CA9CYP2D6 | |
| SCHEMBL14939408 | 0.77 | CA1 (0.53) | CA1CA2CA7CA9SLC6A9 | |
| SCHEMBL14939084 | 0.76 | CA1 (0.60) | CA1CA2CA7CA9PDK2 | |
| SCHEMBL8665649 | 0.73 | CA1 (1.00) | CA1CA2CA7CA9SLC6A9 | |
| SCHEMBL10834251 | 0.72 | SLC6A3 (0.42) | CA1CA2CA7CA9MAPT | |
| SCHEMBL8733807 | 0.68 | CA1 (0.50) | CA1CA2CA7CA9SLC6A9 | |
| SCHEMBL14938950 | 0.68 | SRD5A1 (0.36) | CA1CA2CA7CA9SLC6A9 |
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-2013068785-A1 | INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-05-16 | — | — | WO | disclosed |