Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ARG1 | P05089 | 4/20 | 0.32 |
| ▸ | ARG2 | P78540 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6215052 | 1.00 | CYP1A2 (0.33) | CYP1A2ARG1ARG2ALDH1A1 | |
| SCHEMBL3865460 | 1.00 | CYP1A2 (0.33) | CYP1A2ARG1ARG2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4235768 | 0.98 | CYP1A2 (0.33) | CYP1A2ARG1ARG2 | |
| Hydrochloric Acid SCHEMBL5898246 | 0.98 | CYP1A2 (0.33) | CYP1A2ARG1ARG2 | |
| Hydrochloric Acid SCHEMBL6218699 | 0.98 | CYP1A2 (0.33) | CYP1A2ARG1ARG2 | |
| SCHEMBL2124257 | 0.94 | CYP2C19 (0.31) | — | |
| SCHEMBL5321582 | 0.94 | CYP2C19 (0.31) | — | |
| SCHEMBL11611121 | 0.94 | CYP2C19 (0.31) | — | |
| Hydrochloric Acid SCHEMBL4260557 | 0.93 | MEN1 (0.31) | — | |
| SCHEMBL5322364 | 0.93 | CYP2C19 (0.33) | CYP1A2ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2760878-B1 | ESTRA-1,3,5(10),16-TETRAENE-3-CARBOXAMIDE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS | BAYER IP GMBH (DE) | 2015-10-28 | — | — | EP | disclosed |
| EP-1397137-A4 | HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES | BRISTOL MYERS SQUIBB CO (US) | 2004-10-13 | — | — | EP | disclosed |
| EP-1397137-A1 | HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-03-17 | — | — | EP | disclosed |
| WO-2002096426-A1 | HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-12-05 | — | — | WO | disclosed |