Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 3/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.31 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.31 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.31 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.31 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.31 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8105060 | 0.73 | HDAC1 (0.50) | AKR1C1HDAC1HDAC3HDAC7HDAC2 | |
| SCHEMBL15679297 | 0.72 | AKR1C3 (0.34) | AKR1C3AKR1C2AKR1C1LMNAAPP | |
| SCHEMBL10080630 | 0.72 | POLB (0.46) | AKR1C3AKR1C2AKR1C1APPCYP2C9 | |
| SCHEMBL4836263 | 0.72 | APP (0.50) | AKR1C3AKR1C2HDAC1HDAC3HDAC2 | |
| SCHEMBL21051848 | 0.70 | AKR1C3 (0.51) | AKR1C3AKR1C2AKR1C1HDAC1HDAC3 | |
| SCHEMBL13551754 | 0.70 | ESR1 (0.33) | AKR1C3AKR1C2AKR1C1APPCYP2C9 | |
| SCHEMBL1466033 | 0.70 | CFTR (0.50) | HDAC1HDAC3HDAC2 | |
| SCHEMBL3554737 | 0.69 | HSD11B1 (0.58) | LMNAHSD11B1 | |
| SCHEMBL724752 | 0.68 | CFTR (0.51) | — | |
| SCHEMBL25428659 | 0.67 | ALDH1A1 (0.39) | CYP3A4 |
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-2007756-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmceuticals Incorporated (US) | 2008-12-31 | — | — | EP | disclosed |
| WO-2007117715-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-10-18 | — | — | WO | disclosed |