Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | MMP1 | P03956 | 1/20 | 0.51 |
| ▸ | MMP2 | P08253 | 1/20 | 0.51 |
| ▸ | MMP9 | P14780 | 1/20 | 0.51 |
| ▸ | MMP8 | P22894 | 1/20 | 0.51 |
| ▸ | MMP13 | P45452 | 1/20 | 0.51 |
| ▸ | CES1 | P23141 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.43 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.43 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 3/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.43 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 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 | |
|---|---|---|---|---|
| SCHEMBL2462098 | 0.78 | CA1 (0.56) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL28799780 | 0.77 | CA1 (0.51) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL1925589 | 0.77 | GAA (0.47) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL29249471 | 0.75 | MLYCD (0.50) | CA2CES1HPGDALDH1A1FAAH | |
| SCHEMBL5450071 | 0.75 | CES1 (0.52) | CES1ALDH1A1FAAH | |
| SCHEMBL2171164 | 0.75 | CA1 (0.56) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL28219944 | 0.73 | EPHX1 (0.37) | CA2CES1ALDH1A1KMT2AFAAH | |
| SCHEMBL27795033 | 0.72 | MMP1 (0.49) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL5264576 | 0.72 | CA1 (0.57) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL8626843 | 0.72 | CA1 (0.57) | CA1CA2MMP1MMP2MMP9 |
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-2550257-A1 | PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES | Lead Discovery Center GmbH (DE) | 2013-01-30 | — | — | EP | disclosed |
| WO-2011116951-A1 | PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES | LEAD DISCOVERY CENTER GMBH (DE) | 2011-09-29 | — | — | WO | disclosed |