Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | NOS3 | P29474 | 4/20 | 0.50 |
| ▸ | NOS1 | P29475 | 3/20 | 0.50 |
| ▸ | NOS2 | P35228 | 3/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | F7 | P08709 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 SCHEMBL6953741 | 0.99 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C19NOS3 | |
| SCHEMBL122445 | 0.84 | NOS3 (0.64) | CYP1A2CYP3A4CYP2D6CYP2C19NOS3 | |
| SCHEMBL29558856 | 0.84 | NOS3 (0.64) | CYP1A2CYP3A4CYP2D6CYP2C19NOS3 | |
| Hydrochloric Acid SCHEMBL31114391 | 0.83 | NOS3 (0.65) | CYP1A2CYP3A4CYP2D6CYP2C19NOS3 | |
| SCHEMBL9037983 | 0.81 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2D6CYP2C19NOS3 | |
| Hydrochloric Acid SCHEMBL6956565 | 0.80 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2D6CYP2C19NOS3 | |
| SCHEMBL7595893 | 0.79 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2D6CYP2C19NOS3 | |
| SCHEMBL9037754 | 0.79 | NOS3 (0.72) | CYP1A2CYP3A4CYP2D6CYP2C19NOS3 | |
| SCHEMBL6967975 | 0.78 | NOS3 (0.57) | CYP1A2CYP3A4CYP2D6CYP2C19NOS3 | |
| Hydrochloric Acid SCHEMBL6953744 | 0.78 | NOS3 (0.73) | CYP1A2CYP3A4CYP2D6CYP2C19NOS3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1071746-C | Amidine derivatives with nitric oxide synthetase activities | ASTERA CO (SE) | 2001-09-26 | — | — | CN | claimed |
| CN-1132505-A | Amidine derivatives with nitric oxide synthetase activities | ASTERA CO (SE) | 1996-10-02 | — | — | CN | claimed |
| 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 |