Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.54 |
| ▸ | PIP5K1C | O60331 | 1/20 | 0.54 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.54 |
| ▸ | PI4KA | P42356 | 1/20 | 0.54 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.54 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1806582 | 0.82 | ALDH1A1 (0.56) | PIK3CAPI4KAPI4KBPDPK1SMN1; SMN2 | |
| SCHEMBL28073818 | 0.82 | CYP2A6 (0.46) | SMN1; SMN2KDM4EALDH1A1LMNACYP3A4 | |
| SCHEMBL30418373 | 0.77 | ALDH1A1 (0.58) | PDPK1SMN1; SMN2ALDH1A1LMNAPDE10A | |
| SCHEMBL21989735 | 0.76 | LMNA (0.57) | PDPK1SMN1; SMN2ALDH1A1LMNAPDE10A | |
| SCHEMBL189244 | 0.76 | ASH1L (0.59) | PIK3CDPIP5K1CPIK3CAPI4KAPI4KB | |
| SCHEMBL4846424 | 0.75 | ALDH1A1 (0.60) | PDPK1SMN1; SMN2KDM4EALDH1A1LMNA | |
| SCHEMBL4848399 | 0.75 | SMN1; SMN2 (0.51) | PIK3CDPIK3CAPI4KAPI4KBPDPK1 | |
| SCHEMBL4846229 | 0.72 | PDPK1 (0.49) | PDPK1SMN1; SMN2ALDH1A1LMNAPDE10A | |
| SCHEMBL4850036 | 0.72 | ALDH1A1 (0.51) | PDPK1SMN1; SMN2KDM4EALDH1A1LMNA | |
| SCHEMBL4843130 | 0.72 | SMN1; SMN2 (0.51) | PDPK1SMN1; SMN2ALDH1A1LMNAPDE10A |
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-2401273-A1 | TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2012-01-04 | — | — | EP | disclosed |