Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.46 |
| ▸ | SHBG | P04278 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.43 |
| ▸ | 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 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL5711501 | 0.88 | EPHX1 (0.46) | ALDH1A1SHBGEPHX1CA12CA1 | |
| Acetic Acid SCHEMBL4360054 | 0.86 | EPHX1 (0.44) | ALDH1A1SHBGEPHX1CA12CA1 | |
| Alcohol SCHEMBL8375347 | 0.83 | SHBG (0.50) | SHBGEPHX1CA12CA1CA2 | |
| SCHEMBL1692262 | 0.81 | EPHX1 (0.44) | ALDH1A1SHBGEPHX1CA12CA1 | |
| Methyl Alcohol SCHEMBL1471449 | 0.80 | SHBG (0.43) | SHBGEPHX1CA12CA1CA2 | |
| SCHEMBL7739164 | 0.80 | SHBG (0.48) | ALDH1A1SHBGEPHX1CA12CA1 | |
| Cyclohexane SCHEMBL5321429 | 0.80 | SHBG (0.48) | ALDH1A1SHBGEPHX1CA12CA1 | |
| SCHEMBL21575869 | 0.80 | SHBG (0.48) | ALDH1A1SHBGEPHX1CA12CA1 | |
| SCHEMBL5282 | 0.80 | — | — | |
| SCHEMBL5412 | 0.80 | SHBG (0.48) | ALDH1A1SHBGEPHX1CA12CA1 |
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-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 |
| US-5672586-A | Herpes ribonucleotide reductase inhibitors | BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH, INC. (CA) | 1997-09-30 | — | — | US | disclosed |
| WO-1997000855-A1 | HERPES RIBONUCLEOTIDE REDUCTASE INHIBITORS | BOEHRINGER INGELHEIM (CANADA) LTD./BOEHRINGER INGELHEIM (CANADA) LTÉE. (CA) | 1997-01-09 | — | — | WO | disclosed |