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 |
| ▸ | MYC | P01106 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14939600 | 0.80 | CA1 (0.57) | CA1CA2CA7CA9CYP2D6 | |
| SCHEMBL14939587 | 0.80 | NSD2 (0.39) | CA1CA2CA7CA9CYP2D6 | |
| SCHEMBL14939980 | 0.80 | CA1 (0.59) | CA1CA2CA7CA9CYP3A4 | |
| SCHEMBL14939057 | 0.80 | ALDH1A1 (0.52) | CA1CA2CA7CA9CYP2D6 | |
| SCHEMBL14939084 | 0.80 | CA1 (0.60) | CA1CA2CA7CA9NPSR1 | |
| SCHEMBL14940158 | 0.74 | NPSR1 (0.53) | CA1CA2CA7CA9CYP2D6 | |
| SCHEMBL6199820 | 0.73 | CA1 (1.00) | CA1CA2CA7CA9MYC | |
| SCHEMBL14939402 | 0.73 | CYP2D6 (0.49) | CA1CA2CA7CA9CYP2D6 | |
| SCHEMBL10834251 | 0.72 | SLC6A3 (0.42) | CA1CA2CA7CA9NPSR1 | |
| SCHEMBL14940453 | 0.69 | CYP2D6 (0.62) | CA1CA2CA7CA9CYP2D6 |
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 |