Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.37 |
| ▸ | IKBKB | O14920 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11090677 | 0.83 | NEK2 (0.42) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL9612056 | 0.83 | ALDH1A1 (0.43) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL9612063 | 0.83 | ALDH1A1 (0.41) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL9612055 | 0.79 | CA1 (0.52) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL30680228 | 0.79 | CYP1A2 (0.46) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL26659340 | 0.79 | CYP1A2 (0.46) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL10154047 | 0.77 | ACLY (0.49) | ALDH1A1HPGDNR3C1 | |
| SCHEMBL2991205 | 0.76 | CA1 (0.46) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL5323045 | 0.76 | TAAR1 (0.51) | — | |
| SCHEMBL2640501 | 0.76 | HTR6 (0.44) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2137166-B1 | 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES | INGENIUM PHARMACEUTICALS GMBH (DE) | 2012-05-30 | — | — | EP | disclosed |