Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 4/20 | 0.49 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6238392 | 0.91 | MMP13 (0.57) | MMP13SLC22A8MEN1KMT2AALDH1A1 | |
| SCHEMBL6235396 | 0.88 | MEN1 (0.52) | MMP13MEN1KMT2AALDH1A1CYP3A4 | |
| SCHEMBL6238386 | 0.88 | MMP13 (0.49) | MMP13SLC22A8MEN1KMT2AALDH1A1 | |
| SCHEMBL6235291 | 0.82 | MMP13 (0.58) | MMP13SLC22A8 | |
| SCHEMBL7104022 | 0.82 | MMP13 (0.45) | MMP13SLC22A8MEN1KMT2AALDH1A1 | |
| SCHEMBL6727454 | 0.81 | MEN1 (0.50) | MMP13MEN1KMT2AALDH1A1CYP3A4 | |
| SCHEMBL6236712 | 0.81 | MEN1 (0.52) | MMP13MEN1KMT2AALDH1A1CYP3A4 | |
| SCHEMBL6238482 | 0.81 | MEN1 (0.51) | MMP13MEN1KMT2AALDH1A1CYP3A4 | |
| SCHEMBL6232533 | 0.81 | MEN1 (0.53) | MMP13MEN1KMT2AALDH1A1CYP3A4 | |
| SCHEMBL7624017 | 0.80 | MEN1 (0.51) | MMP13MEN1KMT2AALDH1A1CYP3A4 |
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-1530467-A2 | COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB | Warner-Lambert Company LLC (US) | 2005-05-18 | — | — | EP | disclosed |
| WO-2004006912-A2 | COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB | WARNER-LAMBERT COMPANY LLC (US) | 2004-01-22 | — | — | WO | disclosed |