Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 6/20 | 0.34 |
| ▸ | PPARG | P37231 | 6/20 | 0.34 |
| ▸ | PPARD | Q03181 | 6/20 | 0.34 |
| ▸ | PPARA | Q07869 | 6/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.34 |
| ▸ | TSHR | P16473 | 4/20 | 0.34 |
| ▸ | TLR2 | O60603 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16478592 | 0.73 | CA1 (0.42) | CA12CA1CA9USP2MEN1 | |
| SCHEMBL28848917 | 0.72 | GPR84 (0.40) | MEN1KMT2AALDH1A1GPR84PPARG | |
| SCHEMBL7088973 | 0.71 | GPR84 (0.39) | MEN1KMT2AALDH1A1GPR84PPARG | |
| SCHEMBL751749 | 0.70 | CA12 (0.58) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL11337417 | 0.70 | CA12 (0.46) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL455742 | 0.70 | CA12 (0.46) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL24436798 | 0.69 | CA1 (0.39) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL673393 | 0.69 | CA12 (0.56) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL8773488 | 0.69 | CA12 (0.56) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL967653 | 0.69 | — | — |
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-3376870-B1 | PROCESS FOR THE PREPARATION OF KINASE INHIBITORS AND INTERMEDIATES THEREOF | AERIE PHARMACEUTICALS INC (US) | 2021-08-11 | — | — | EP | disclosed |