Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.63 |
| ▸ | AKR1C3 | P42330 | 7/20 | 0.57 |
| ▸ | AKR1C2 | P52895 | 7/20 | 0.57 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.57 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | CDC42 | P60953 | 1/20 | 0.57 |
| ▸ | RAC1 | P63000 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.54 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL10396796 | 1.00 | ABCB11 (0.63) | ABCB11AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL2452047 | 0.87 | ABCB11 (0.61) | ABCB11AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL2452044 | 0.87 | ABCB11 (0.61) | ABCB11AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL27746754 | 0.86 | ABCB11 (0.60) | ABCB11AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL14515279 | 0.85 | AKR1C3 (0.54) | ABCB11AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL14515281 | 0.85 | AKR1C3 (0.54) | ABCB11AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL14515277 | 0.85 | AKR1C3 (0.54) | ABCB11AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL8474926 | 0.85 | ABCB11 (0.63) | ABCB11AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL27746756 | 0.83 | ABCB11 (0.57) | ABCB11AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL11154899 | 0.83 | ABCB11 (0.69) | ABCB11AKR1C3AKR1C2PTGS2PTGS1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0328125-A2 | Process for the enzymatic separation of the optical isomers of racemic alpha-alkyl-substituted primary alcohols | ISTITUTO GUIDO DONEGANI S.p.A. (IT) | 1989-08-16 | — | — | EP | disclosed |