Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 9/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | MMP2 | P08253 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | SHBG | P04278 | 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 | |
|---|---|---|---|---|
| SCHEMBL28203211 | 0.79 | EPHX1 (0.43) | EPHX1CA12CA1CA2MMP2 | |
| SCHEMBL1594522 | 0.79 | EPHX1 (0.43) | EPHX1CA12CA1CA2MMP2 | |
| SCHEMBL971123 | 0.79 | EPHX1 (0.43) | EPHX1CA12CA1CA2MMP2 | |
| SCHEMBL7794337 | 0.79 | EPHX1 (0.43) | EPHX1CA12CA1CA2MMP2 | |
| SCHEMBL11748812 | 0.79 | EPHX1 (0.43) | EPHX1CA12CA1CA2MMP2 | |
| SCHEMBL697605 | 0.76 | EPHX1 (0.39) | EPHX1CA12CA1CA2MMP2 | |
| SCHEMBL28203322 | 0.76 | ALDH1A1 (0.41) | EPHX1CA12CA1CA2MMP2 | |
| SCHEMBL1692262 | 0.76 | EPHX1 (0.44) | EPHX1CA12CA1CA2MMP2 | |
| SCHEMBL10876120 | 0.76 | ATM (0.42) | EPHX1CA12CA1CA2MMP2 | |
| SCHEMBL27962173 | 0.74 | ALDH1A1 (0.40) | EPHX1CA12CA1CA2MMP2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0837845-B1 | HERPES RIBONUCLEOTIDE REDUCTASE INHIBITORS | BOEHRINGER INGELHEIM CA LTD (CA) | 2001-11-28 | — | — | EP | disclosed |
| EP-0837845-A1 | HERPES RIBONUCLEOTIDE REDUCTASE INHIBITORS | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 1998-04-29 | — | — | EP | disclosed |
| WO-1997000855-A1 | HERPES RIBONUCLEOTIDE REDUCTASE INHIBITORS | BOEHRINGER INGELHEIM (CANADA) LTD./BOEHRINGER INGELHEIM (CANADA) LTÉE. (CA) | 1997-01-09 | — | — | WO | disclosed |