Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC16A3 | O15427 | 8/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | SLC16A1 | P53985 | 6/20 | 0.43 |
| ▸ | MCTS1 | Q9ULC4 | 5/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7752681 | 0.82 | SLC16A3 (0.42) | SLC16A3ALDH1A1NR1H4CYP1A2CYP2C9 | |
| SCHEMBL3549297 | 0.82 | GRM5 (0.39) | SLC16A3ALDH1A1NR1H4MEN1KMT2A | |
| SCHEMBL22912537 | 0.80 | POLB (0.43) | SLC16A3ALDH1A1NR1H4MEN1KMT2A | |
| SCHEMBL5966699 | 0.78 | KDM4E (0.49) | ALDH1A1NR1H4MEN1KMT2ACYP1A2 | |
| SCHEMBL27046141 | 0.78 | SLC16A3 (0.41) | SLC16A3ALDH1A1NR1H4SLC16A1MCTS1 | |
| SCHEMBL1779503 | 0.77 | PTGS2 (0.52) | SLC16A3NR1H4GRM5PTGS2MPO | |
| SCHEMBL24408917 | 0.76 | NR1H4 (0.54) | ALDH1A1NR1H4MEN1KMT2APTGS1 | |
| SCHEMBL10275017 | 0.75 | CNR1 (0.45) | ALDH1A1NR1H4KMT2AGRM5PTGS2 | |
| SCHEMBL27517063 | 0.75 | MAPT (0.43) | ALDH1A1NR1H4GRM5NPC1 | |
| SCHEMBL15677567 | 0.74 | SLC16A3 (0.50) | SLC16A3NR1H4SLC16A1MCTS1 |
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-0808308-B1 | METHOD FOR SEPARATING CARBINOLS | ESTEVE LABOR DR (ES) | 2001-03-07 | — | — | EP | claimed |
| EP-0808308-B1 | METHOD FOR SEPARATING CARBINOLS | ESTEVE LABOR DR (ES) | 2001-03-07 | — | — | EP | disclosed |
| EP-0808308-A1 | METHOD FOR SEPARATING CARBINOLS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 1997-11-26 | — | — | EP | disclosed |
| WO-1997020817-A1 | METHOD FOR SEPARATING CARBINOLS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 1997-06-12 | — | — | WO | disclosed |