Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 4/20 | 0.69 |
| ▸ | NOS1 | P29475 | 3/20 | 0.69 |
| ▸ | NOS2 | P35228 | 3/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 1/20 | 0.45 |
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 SCHEMBL6956568 | 0.99 | NOS3 (0.70) | NOS3NOS1NOS2CYP1A2CYP3A4 | |
| SCHEMBL122446 | 0.82 | NOS3 (1.00) | NOS3NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL30007714 | 0.81 | NOS3 (1.00) | NOS3NOS1NOS2 | |
| SCHEMBL9037754 | 0.81 | NOS3 (0.72) | NOS3NOS1NOS2CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL6953744 | 0.80 | NOS3 (0.73) | NOS3NOS1NOS2CYP1A2CYP3A4 | |
| SCHEMBL9037983 | 0.76 | CYP1A2 (0.56) | NOS3NOS1NOS2CYP1A2CYP3A4 | |
| SCHEMBL6967979 | 0.76 | NOS3 (0.88) | NOS3NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL6956565 | 0.75 | CYP1A2 (0.58) | NOS3NOS1NOS2CYP1A2CYP3A4 | |
| SCHEMBL2536945 | 0.75 | HDAC1 (0.62) | CYP1A2CYP3A4CYP2D6CYP2C19HDAC1 | |
| SCHEMBL7599284 | 0.74 | CYP1A2 (0.60) | NOS3NOS1NOS2CYP1A2CYP3A4 |
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-0713483-A1 | AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES | Astra Aktiebolag (SE) | 1996-05-29 | — | — | EP | claimed |
| WO-1995005363-A1 | AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES | ASTRA AKTIEBOLAG (SE) | 1995-02-23 | — | — | WO | claimed |