Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 17/20 | 0.51 |
| ▸ | NMT2 | O60551 | 2/20 | 0.42 |
| ▸ | NMT1 | P30419 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL5348100 | 0.76 | POLB (0.47) | NMT2NMT1POLBTDP1L3MBTL1 | |
| SCHEMBL5351528 | 0.71 | NMT2 (0.43) | ACACBNMT2NMT1POLBTDP1 | |
| SCHEMBL5344394 | 0.71 | ACACB (0.43) | ACACBPOLBTDP1 | |
| SCHEMBL5361060 | 0.70 | IDH1 (0.45) | ACACBNMT2NMT1POLBTDP1 | |
| SCHEMBL5249469 | 0.67 | PDE5A (0.39) | ACACBTDP1 | |
| SCHEMBL15022112 | 0.64 | ALDH1A1 (0.50) | — | |
| SCHEMBL5025600 | 0.62 | LSS (0.38) | — | |
| SCHEMBL5025601 | 0.62 | LSS (0.38) | — | |
| SCHEMBL4100121 | 0.61 | P2RY12 (0.61) | — | |
| SCHEMBL12497904 | 0.61 | MAPK1 (0.39) | — |
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-1697375-A2 | HETEROCYCLIC PROTEIN KINASE INHIBITORS AND USES THEREOF | Vertex Pharmaceuticals Incorporated (US) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005068468-A2 | HETEROCYCLIC PROTEIN KINASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS, INC. (US) | 2005-07-28 | — | — | WO | disclosed |