Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
| ▸ | ERBB2 | P04626 | 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 SCHEMBL7696821 | 0.99 | BCL2A1 (0.40) | BCL2A1NOS2CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL7696698 | 0.76 | CYP2D6 (0.39) | BCL2A1NOS2CYP2D6SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL7695431 | 0.75 | CYP2D6 (0.38) | BCL2A1NOS2CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL7693162 | 0.75 | BCL2A1 (0.39) | BCL2A1NOS2CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL30718081 | 0.73 | CYP2D6 (0.42) | BCL2A1NOS2CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL31261067 | 0.73 | CYP2D6 (0.42) | BCL2A1NOS2CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL7690799 | 0.72 | NOS2 (0.43) | NOS2CYP2D6SLC6A2SLC6A4NOS3 | |
| SCHEMBL7697521 | 0.71 | CYP2D6 (0.34) | BCL2A1NOS2CYP2D6SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL7697394 | 0.71 | NOS2 (0.44) | NOS2CYP2D6SLC6A2SLC6A4NOS3 | |
| Hydrochloric Acid SCHEMBL7697353 | 0.71 | CYP2D6 (0.33) | NOS2CYP2D6SLC6A2SLC6A4ALDH1A1 |
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-2002012187-A1 | NOVEL PHENYLHETEROAZETIDINES, USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | ASTRAZENECA AB (SE) | 2002-02-14 | — | — | WO | claimed |
| WO-2002012187-A1 | NOVEL PHENYLHETEROAZETIDINES, USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | ASTRAZENECA AB (SE) | 2002-02-14 | — | — | WO | disclosed |