Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | RELA | Q04206 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.48 |
| ▸ | ESR1 | P03372 | 2/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6319705 | 0.82 | ALDH1A1 (0.32) | ALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL10888408 | 0.79 | ALDH1A1 (0.52) | ALDH1A1CYP2A6CA12CA1CA2 | |
| SCHEMBL8059285 | 0.79 | ALDH1A1 (0.52) | ALDH1A1CYP2A6CA12CA1CA2 | |
| SCHEMBL12028758 | 0.77 | KDM4E (0.59) | ALDH1A1CYP2A6KDM4ECYP3A4LMNA | |
| SCHEMBL678598 | 0.77 | KDM4E (0.59) | ALDH1A1CYP2A6KDM4ECYP3A4LMNA | |
| SCHEMBL154967 | 0.75 | ALDH1A1 (0.58) | ALDH1A1CYP2A6CA12CA1CA2 | |
| SCHEMBL11688441 | 0.75 | ALDH1A1 (0.58) | ALDH1A1CYP2A6CA12CA1CA2 | |
| SCHEMBL4881152 | 0.74 | RELA (0.81) | ALDH1A1KDM4ECYP3A4LMNATP53 | |
| SCHEMBL13790336 | 0.74 | RELA (0.81) | ALDH1A1KDM4ECYP3A4LMNATP53 | |
| SCHEMBL631998 | 0.74 | RELA (0.81) | ALDH1A1KDM4ECYP3A4LMNATP53 |
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-0630899-A1 | CEPHEM COMPOUND, PROCESS FOR PRODUCING THE SAME, AND MEDICINE CONTAINING THE SAME | OTSUKA KAGAKU KABUSHIKI KAISHA (JP) | 1994-12-28 | — | — | EP | disclosed |
| US-4307233-A | ANTIBACTERIAL AGENTS | RHONE-POULENC INDUSTRIES (FR) | 1981-12-22 | — | — | US | disclosed |