Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4739860 | 0.99 | ALDH1A1 (0.55) | ALDH1A1CYP3A4CYP2C19POLBGAA | |
| SCHEMBL4739753 | 0.88 | CYP3A4 (0.68) | ALDH1A1CYP3A4CYP2C19POLBGAA | |
| SCHEMBL4738273 | 0.88 | ALDH1A1 (0.59) | ALDH1A1POLBGAAKMT2A | |
| SCHEMBL4738964 | 0.87 | POLB (0.51) | ALDH1A1CYP3A4CYP2C19POLBGAA | |
| SCHEMBL4740143 | 0.87 | CYP3A4 (0.67) | ALDH1A1CYP3A4CYP2C19POLBGAA | |
| SCHEMBL4736676 | 0.87 | CYP3A4 (0.51) | ALDH1A1CYP3A4CYP2C19POLBRAB9A | |
| SCHEMBL4738918 | 0.87 | CYP3A4 (0.67) | ALDH1A1CYP3A4CYP2C19POLBGAA | |
| SCHEMBL4736709 | 0.87 | LMNA (0.57) | ALDH1A1CYP3A4CYP2C19POLBKMT2A | |
| SCHEMBL4737593 | 0.87 | LMNA (0.57) | ALDH1A1CYP3A4CYP2C19POLBKMT2A | |
| SCHEMBL4741031 | 0.87 | HDAC3 (0.52) | CYP3A4CYP2C19POLBRAB9AKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008087654-A2 | PIPERIDINES AS INHIBITORS OF 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 | CADILA HEALTHCARE LIMITED (IN) | 2008-07-24 | — | — | WO | claimed |