Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 4/20 | 0.38 |
| ▸ | MAOB | P27338 | 4/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7593557 | 0.88 | ALDH1A1 (0.37) | CYP3A4ALDH1A1TDP1MAPTL3MBTL1 | |
| SCHEMBL9699565 | 0.78 | CYP3A4 (0.58) | CYP3A4ALDH1A1TDP1MAPTL3MBTL1 | |
| SCHEMBL7410822 | 0.74 | ALDH1A1 (0.50) | CYP3A4ALDH1A1TDP1MAPTL3MBTL1 | |
| SCHEMBL8862539 | 0.73 | CYP3A4 (0.64) | CYP3A4ALDH1A1TDP1MAPTL3MBTL1 | |
| Benzene SCHEMBL28589541 | 0.73 | CYP3A4 (0.50) | CYP3A4ALDH1A1TDP1MAPTL3MBTL1 | |
| SCHEMBL22733783 | 0.69 | CYP3A4 (1.00) | CYP3A4ALDH1A1TDP1MAPTL3MBTL1 | |
| SCHEMBL21311961 | 0.69 | CYP3A4 (1.00) | CYP3A4ALDH1A1TDP1MAPTL3MBTL1 | |
| SCHEMBL21538632 | 0.69 | CYP3A4 (1.00) | CYP3A4ALDH1A1TDP1MAPTL3MBTL1 | |
| Benzene SCHEMBL1030385 | 0.69 | CYP3A4 (1.00) | CYP3A4ALDH1A1TDP1MAPTL3MBTL1 | |
| SCHEMBL39413 | 0.69 | CYP3A4 (1.00) | CYP3A4ALDH1A1TDP1MAPTL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0713483-B1 | AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES | ASTRAZENECA AB (SE) | 2003-01-15 | — | — | EP | disclosed |
| US-6030985-A | Amidine derivatives with nitric oxide synthetase activities | ASTRA AKTIEBOLAG (SE) | 2000-02-29 | — | — | US | disclosed |
| EP-0713483-A1 | AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES | Astra Aktiebolag (SE) | 1996-05-29 | — | — | EP | disclosed |
| WO-1995005363-A1 | AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES | ASTRA AKTIEBOLAG (SE) | 1995-02-23 | — | — | WO | disclosed |