Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
| ▸ | BRS3 | P32247 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL15719607 | 0.83 | LMNA (0.44) | ALDH1A1MAPK1TSHRKDM4EMEN1 | |
| SCHEMBL18896261 | 0.80 | ALDH1A1 (0.52) | NOS3NOS1NOS2ALDH1A1CA12 | |
| SCHEMBL16338082 | 0.78 | SMN1; SMN2 (0.41) | NOS3NOS1NOS2ALDH1A1CYP1A2 | |
| SCHEMBL16338590 | 0.78 | SMN1; SMN2 (0.41) | NOS3NOS1NOS2ALDH1A1CYP1A2 | |
| SCHEMBL17162481 | 0.78 | — | — | |
| SCHEMBL10204879 | 0.73 | TACR1 (0.42) | NOS3NOS1NOS2ALDH1A1CA12 | |
| SCHEMBL14793387 | 0.72 | CYP19A1 (0.46) | NOS3NOS1NOS2ALDH1A1CA12 | |
| SCHEMBL14793355 | 0.70 | NOS3 (0.39) | NOS3NOS1NOS2ALDH1A1CA12 | |
| SCHEMBL18703334 | 0.68 | MAPT (0.43) | CYP2C9CYP2C19MAPK1CYP19A1MEN1 | |
| SCHEMBL16338591 | 0.68 | NOS3 (0.40) | NOS3NOS1NOS2ALDH1A1CA12 |
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-2755948-A1 | DISUBSTITUTED 5-FLUORO PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP | Bayer Intellectual Property GmbH (DE) | 2014-07-23 | — | — | EP | disclosed |
| WO-2013037894-A1 | DISUBSTITUTED 5-FLUORO PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-03-21 | — | — | WO | disclosed |