Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 6/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7003628 | 0.99 | OPRM1 (0.38) | OPRM1OPRD1OPRK1GRIN2BFYN | |
| SCHEMBL6991860 | 0.82 | KDM4E (0.42) | MAOAMAOBALDH1A1 | |
| Hydrochloric Acid SCHEMBL7708035 | 0.81 | KDM4E (0.41) | MAOAMAOBALDH1A1NOS3NOS1 | |
| SCHEMBL27466929 | 0.80 | PARP1 (0.53) | PARP1DRD2ALDH1A1NOS3NOS1 | |
| Hydrochloric Acid SCHEMBL6989622 | 0.79 | KDM4E (0.48) | ALDH1A1 | |
| SCHEMBL6611984 | 0.79 | PARP1 (0.45) | PARP1ALDH1A1NOS3NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL7713375 | 0.79 | PARP1 (0.52) | PARP1DRD2ALDH1A1NOS3NOS1 | |
| Hydrochloric Acid SCHEMBL6302797 | 0.78 | PARP1 (0.44) | PARP1ALDH1A1NOS3NOS1NOS2 | |
| SCHEMBL6610312 | 0.78 | PARP1 (0.51) | PARP1ALDH1A1NOS3NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL6302705 | 0.77 | NOS1 (0.46) | PARP1ALDH1A1NOS3NOS1NOS2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1015437-B1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS | SCHERING AG (DE) | 2003-12-03 | — | — | EP | claimed |