Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | PPARD | Q03181 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CTSD | P07339 | 1/20 | 0.31 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.31 |
| ▸ | UBE2I | P63279 | 1/20 | 0.31 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.31 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.31 |
| ▸ | PTGER1 | P34995 | 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 | |
|---|---|---|---|---|
| SCHEMBL2188145 | 0.88 | MAPT (0.40) | MAPTCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4540788 | 0.85 | MAPT (0.38) | MAPTCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4383985 | 0.73 | LMNA (0.47) | MAPTTP53SMN1; SMN2PTGER1KMT2A | |
| SCHEMBL4390910 | 0.73 | MAPT (0.61) | MAPTCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2188096 | 0.71 | MAPT (0.33) | MAPTCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2189359 | 0.71 | CNR1 (0.33) | MAPTTP53 | |
| SCHEMBL12407097 | 0.70 | TRPV1 (0.45) | MAPTCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5670152 | 0.70 | CYP1A2 (0.50) | MAPTCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4550530 | 0.70 | DGAT2 (0.33) | — | |
| SCHEMBL2176692 | 0.70 | MAPT (0.52) | MAPTCYP1A2CYP3A4CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-7973061-B2 | Anaplastic lymphoma kinase modulators and methods of use | EXELIXIS, INC. (US) | 2011-07-05 | — | — | US | claimed |