Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 5/20 | 0.38 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.37 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.35 |
| ▸ | MMP2 | P08253 | 3/20 | 0.35 |
| ▸ | MMP8 | P22894 | 3/20 | 0.35 |
| ▸ | MMP14 | P50281 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | ACP3 | P15309 | 3/20 | 0.33 |
| ▸ | FDPS | P14324 | 4/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8915532 | 0.92 | CA9 (0.35) | CA9CA12S1PR2S1PR4S1PR1 | |
| SCHEMBL8914943 | 0.81 | POLB (0.39) | CA9CA12CA2CA1 | |
| SCHEMBL9082979 | 0.79 | POLB (0.40) | CA9CA12CA2CA1 | |
| SCHEMBL8914859 | 0.71 | FDPS (0.50) | CA9CA12FDPSHDAC3HDAC4 | |
| SCHEMBL8917287 | 0.71 | LAP3 (0.33) | S1PR2S1PR4S1PR1S1PR3HDAC3 | |
| SCHEMBL8915288 | 0.71 | LAP3 (0.33) | S1PR2S1PR4S1PR1S1PR3HDAC3 | |
| SCHEMBL17187190 | 0.71 | S1PR2 (0.40) | CA9CA12S1PR2S1PR4S1PR1 | |
| SCHEMBL8917274 | 0.70 | FDPS (0.45) | FDPSCFTR | |
| SCHEMBL8915283 | 0.70 | FDPS (0.45) | FDPSCFTR | |
| SCHEMBL14990095 | 0.70 | KDM1A (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5624917-A | Method of inhibiting squalene synthetase | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-04-29 | — | — | US | disclosed |
| EP-0541037-A2 | Squalene synthetase inhibitory composition and use thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-05-12 | — | — | EP | disclosed |