Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SNCA | P37840 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.32 |
| ▸ | EGLN2 | Q96KS0 | 2/20 | 0.32 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.31 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8113309 | 0.88 | KIF11 (0.40) | ALDH1A1KDM4E | |
| SCHEMBL28404933 | 0.79 | ABL1 (0.43) | ABL1CYP2A6NOS3NOS1NOS2 | |
| SCHEMBL5671424 | 0.78 | MMP12 (0.45) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5672533 | 0.74 | AHR (0.38) | — | |
| SCHEMBL28403165 | 0.73 | ALOX5 (0.41) | ABL1CYP2A6NOS3NOS1NOS2 | |
| SCHEMBL7988325 | 0.73 | ALDH1A1 (0.36) | ALDH1A1KDM4E | |
| SCHEMBL2482795 | 0.72 | ALOX5 (0.59) | ABL1CA12CA9 | |
| SCHEMBL6994884 | 0.72 | GAA (0.44) | ALDH1A1KDM4E | |
| SCHEMBL6999042 | 0.72 | ACE2 (0.47) | ABL1ALDH1A1 | |
| SCHEMBL7985610 | 0.71 | MMP12 (0.39) | ALDH1A1 |
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-1015437-B1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS | SCHERING AG (DE) | 2003-12-03 | — | — | EP | disclosed |
| US-6365736-B1 | TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-04-02 | — | — | US | disclosed |