Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 1/20 | 0.51 |
| ▸ | MMP13 | P45452 | 1/20 | 0.51 |
| ▸ | MMP14 | P50281 | 1/20 | 0.51 |
| ▸ | CDC7 | O00311 | 2/20 | 0.48 |
| ▸ | DBF4 | Q9UBU7 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
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 | 0.86 | KDM4E (0.51) | NPC1RAB9ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL949442 | 0.85 | IMPDH2 (0.56) | MMP2MMP13MMP14CDC7DBF4 | |
| SCHEMBL952491 | 0.80 | MKNK1 (0.50) | CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL9591511 | 0.79 | ALDH1A1 (0.51) | CYP1A2CYP2C19KDM4EMAPTPOLB | |
| SCHEMBL15758806 | 0.78 | ALPL (0.54) | NPC1RAB9AKDM4EMAPTPOLB | |
| SCHEMBL1255641 | 0.78 | PRKCZ (0.50) | NPC1RAB9AKDM4EMAPTPOLB | |
| SCHEMBL31189439 | 0.77 | MMP2 (0.50) | MMP2MMP13MMP14CDC7DBF4 | |
| SCHEMBL6634666 | 0.77 | KDM4E (0.53) | MMP2MMP13MMP14CDC7DBF4 | |
| SCHEMBL30590650 | 0.76 | MMP2 (0.49) | MMP2MMP13MMP14CDC7DBF4 | |
| SCHEMBL3517715 | 0.76 | RAB9A (0.59) | MMP2MMP13MMP14CDC7DBF4 |
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 |