Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 6/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 7/20 | 0.49 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 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 | |
|---|---|---|---|---|
| SCHEMBL4131627 | 0.77 | EPHX1 (0.59) | EPHX1EPHX2KDM1ACYP2C19PARP1 | |
| SCHEMBL23490137 | 0.76 | EPHX1 (0.57) | EPHX1EPHX2KDM1ACYP2C19PARP1 | |
| SCHEMBL21784381 | 0.73 | KDM1A (0.56) | EPHX1EPHX2KDM1ACYP2C19PARP1 | |
| SCHEMBL11942148 | 0.72 | EPHX1 (0.53) | EPHX1EPHX2KDM1ACYP2C19PARP1 | |
| SCHEMBL17607188 | 0.70 | EPHX1 (0.53) | EPHX1EPHX2CYP2C19 | |
| SCHEMBL29191941 | 0.70 | CTSK (0.52) | EPHX1EPHX2PARP1CYP2C9 | |
| SCHEMBL3581534 | 0.69 | EPHX1 (0.50) | EPHX1EPHX2KDM1ACYP2C19PARP1 | |
| SCHEMBL3581538 | 0.69 | EPHX1 (0.50) | EPHX1EPHX2KDM1ACYP2C19PARP1 | |
| SCHEMBL4910900 | 0.69 | CNR1 (0.54) | EPHX1EPHX2HTTCNR1CNR2 | |
| SCHEMBL2807431 | 0.68 | EPHX1 (0.49) | EPHX1EPHX2KDM1ACYP2C19PARP1 |
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-3194390-A1 | PYRROLCARBOXAMIDE DERIVATIVES FOR THE INHBITION OF ERK5 | Cancer Research Technology Ltd (GB) | 2017-07-26 | — | — | EP | claimed |
| WO-2016042341-A1 | PYRROLCARBOXAMIDE DERIVATIVES FOR THE INHBITION OF ERK5 | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2016-03-24 | — | — | WO | claimed |