Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | CA4 | P22748 | 2/20 | 0.51 |
| ▸ | CA7 | P43166 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14939566 | 0.84 | CA1 (0.56) | CA1CA2CA4CA7CA9 | |
| SCHEMBL14939759 | 0.82 | NPSR1 (0.51) | CA1CA2CA4CA7CA9 | |
| SCHEMBL14939682 | 0.81 | KMT2A (0.46) | CA1CA2CA4CA7CA9 | |
| Hydrochloric Acid SCHEMBL14939662 | 0.74 | TP53 (0.48) | CA1CA2CA4CA7CA9 | |
| SCHEMBL14940215 | 0.72 | NPSR1 (0.60) | ACHEMAPTALDH1A1NPSR1TP53 | |
| SCHEMBL11137560 | 0.69 | CA1 (0.79) | CA1CA2CA4CA7CA9 | |
| SCHEMBL4395035 | 0.69 | CA1 (1.00) | CA1CA2CA4CA7CA9 | |
| Water SCHEMBL1222259 | 0.67 | CA1 (0.96) | CA1CA2CA4CA7CA9 | |
| SCHEMBL27485165 | 0.67 | PGR (0.48) | ACHEMAPTGAAKMT2AALDH1A1 | |
| SCHEMBL14939005 | 0.66 | KMT2A (0.49) | CA1CA2CA4CA7CA9 |
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 |