Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | NOS1 | P29475 | 3/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6996294 | 0.93 | IDO1 (0.33) | IDO1 | |
| Hydrochloric Acid SCHEMBL6989622 | 0.73 | KDM4E (0.48) | ALDH1A1KDM4ETSHR | |
| SCHEMBL7705017 | 0.73 | ALDH1A1 (0.34) | IDO1ALDH1A1KDM4E | |
| SCHEMBL7091666 | 0.71 | PFKFB3 (0.33) | IDO1TSHR | |
| Hydrochloric Acid SCHEMBL6989617 | 0.71 | IDO1 (0.33) | IDO1 | |
| SCHEMBL6991860 | 0.69 | KDM4E (0.42) | ALDH1A1KDM4E | |
| SCHEMBL6996663 | 0.69 | SLC6A4 (0.34) | — | |
| Hydrochloric Acid SCHEMBL7708035 | 0.69 | KDM4E (0.41) | ALDH1A1NOS1NOS3NOS2KDM4E | |
| SCHEMBL6993506 | 0.67 | KDM4E (0.34) | ALDH1A1NOS1NOS3NOS2KDM4E | |
| SCHEMBL7001034 | 0.66 | LMNA (0.33) | KDM4E |
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 |