Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IMPDH2 | P12268 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | CDC7 | O00311 | 8/20 | 0.50 |
| ▸ | DBF4 | Q9UBU7 | 7/20 | 0.50 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.47 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | MMP14 | P50281 | 1/20 | 0.46 |
| ▸ | GCGR | P47871 | 2/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | PIM1 | P11309 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9586577 | 0.87 | KDM4E (0.51) | ALDH1A1HPGDHSD17B10KDM4EPOLB | |
| SCHEMBL949873 | 0.85 | MMP2 (0.51) | ALDH1A1HPGDCDC7DBF4MMP2 | |
| SCHEMBL15758806 | 0.84 | ALPL (0.54) | ALDH1A1HPGDGCGRKDM4EPOLB | |
| SCHEMBL1255641 | 0.84 | PRKCZ (0.50) | ALDH1A1HPGDMAPK14GCGRKDM4E | |
| SCHEMBL11763106 | 0.80 | AR (0.54) | — | |
| SCHEMBL17274947 | 0.80 | POLB (0.46) | MMP2GSK3BPOLB | |
| SCHEMBL949150 | 0.78 | CCNC (0.41) | IMPDH2CDC7MAPK14GCGRKDM4E | |
| SCHEMBL21176831 | 0.77 | TARBP2 (0.49) | IMPDH2ALDH1A1HPGDHSD17B10CASP1 | |
| SCHEMBL9591511 | 0.77 | ALDH1A1 (0.51) | ALDH1A1HPGDHSD17B10KDM4EPOLB | |
| SCHEMBL27588723 | 0.77 | HPGDS (0.46) | IMPDH2ALDH1A1HPGDHSD17B10CDC7 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3262035-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | F. Hoffmann-La Roche AG (CH) | 2018-01-03 | — | — | EP | disclosed |
| WO-2016135163-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2016-09-01 | — | — | WO | disclosed |
| WO-2016135163-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2016-09-01 | — | — | WO | disclosed |
| EP-2451450-B1 | Inhibitors of proline racemase enzymes for the treatment of Trypanosoma spp infections | PASTEUR INSTITUT (FR) | 2014-07-02 | — | — | EP | disclosed |
| EP-2451450-A1 | NEW INHIBITORS OF PROLINE RACEMASE ENZYMES | Institut Pasteur (FR) | 2012-05-16 | — | — | EP | disclosed |
| WO-2011004323-A1 | NEW INHIBITORS OF PROLINE RACEMASE ENZYMES | INSTITUT PASTEUR (FR) | 2011-01-13 | — | — | WO | disclosed |
| EP-2272510-A1 | Inhibitors of the proline racemase of trypanosoma cruzi | Institut Pasteur (FR) | 2011-01-12 | — | — | EP | disclosed |