Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.49 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.47 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 2/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4056353 | 0.83 | CYP2A6 (0.55) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL4048393 | 0.83 | CYP2A6 (0.55) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL493764 | 0.82 | ALDH1A1 (0.50) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL4054714 | 0.82 | CYP2A6 (0.48) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL13242094 | 0.82 | CYP2A6 (0.48) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL4049989 | 0.81 | CYP2A6 (0.52) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL17508122 | 0.81 | CRHBP (0.57) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL4052732 | 0.79 | CYP2A6 (0.46) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL4049853 | 0.79 | TYR (0.59) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL4049487 | 0.79 | TYR (0.59) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 |
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-2009109999-A1 | NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS | LUPIN LIMITED (IN) | 2009-09-11 | — | — | WO | disclosed |