Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | NAAA | Q02083 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | STS | P08842 | 4/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.35 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6030789 | 0.98 | EPHX1 (0.47) | EPHX1CA1CA2CA12CA9 | |
| SCHEMBL5793244 | 0.90 | — | — | |
| SCHEMBL11591531 | 0.84 | EPHX1 (0.50) | EPHX1CA1CA2CA12CA9 | |
| SCHEMBL2999385 | 0.81 | EPHX1 (0.54) | EPHX1CA1CA2CA12CA9 | |
| SCHEMBL6623051 | 0.81 | EPHX1 (0.48) | EPHX1CA1CA2CA12CA9 | |
| SCHEMBL112091 | 0.79 | — | — | |
| SCHEMBL113152 | 0.77 | EPHX1 (0.50) | EPHX1CA1CA2CA12CA9 | |
| SCHEMBL1416705 | 0.77 | EPHX1 (0.50) | EPHX1CA1CA2CA12CA9 | |
| SCHEMBL20573315 | 0.77 | EPHX1 (0.50) | EPHX1CA1CA2CA12CA9 | |
| SCHEMBL2968824 | 0.77 | EPHX1 (0.45) | EPHX1CA1CA2CA12CA9 |
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-3436462-A1 | COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF | Merck Patent GmbH (DE) | 2019-02-06 | — | — | EP | disclosed |
| WO-2017173049-A1 | COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2017-10-05 | — | — | WO | disclosed |