Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 1/20 | 0.59 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.43 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.43 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 9/20 | 0.41 |
| ▸ | CNR1 | P21554 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL4049853 | 1.00 | TYR (0.59) | TYRCYP2A6CYP2A13ALDH1A1ALDH1A3 | |
| SCHEMBL4052732 | 0.84 | CYP2A6 (0.46) | TYRCYP2A6CYP2A13ALDH1A1ALDH1A3 | |
| SCHEMBL4056353 | 0.82 | CYP2A6 (0.55) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL4048393 | 0.82 | CYP2A6 (0.55) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL13242094 | 0.81 | CYP2A6 (0.48) | TYRCYP2A6CYP2A13ALDH1A1ALDH1A3 | |
| SCHEMBL4054714 | 0.81 | CYP2A6 (0.48) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL4049989 | 0.80 | CYP2A6 (0.52) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL17508122 | 0.80 | CRHBP (0.57) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL4050305 | 0.79 | ALDH1A1 (0.49) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL25839380 | 0.78 | NR1H2 (0.51) | ALDH1A1PYCR1CNR2CNR1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009109999-A1 | NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS | LUPIN LIMITED (IN) | 2009-09-11 | — | — | WO | disclosed |
| WO-2009109998-A1 | NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS | LUPIN LIMITED (IN) | 2009-09-11 | — | — | WO | disclosed |