Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.43 |
| ▸ | CALCRL | Q16602 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.43 |
| ▸ | ADM2 | Q7Z4H4 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | MLYCD | O95822 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6955771 | 0.83 | MMP1 (0.54) | ALDH1A1LMNAACHEMAPT | |
| SCHEMBL6968790 | 0.82 | KDM4E (0.47) | ALDH1A1NPSR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6956260 | 0.76 | RCE1 (0.49) | KDM4EMLYCD | |
| SCHEMBL6967760 | 0.76 | RCE1 (0.49) | KDM4EMLYCD | |
| SCHEMBL16373478 | 0.76 | CES1 (0.52) | ALDH1A1NPSR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2413298 | 0.74 | HDAC1 (0.59) | CYP3A4 | |
| SCHEMBL6956921 | 0.73 | GRIN2D (0.45) | ALDH1A1NPSR1CYP2C19LMNAKDM4E | |
| SCHEMBL3453783 | 0.72 | EPHX2 (0.76) | ALDH1A1LMNAACHEBCHEKDM4E | |
| SCHEMBL7472989 | 0.71 | ALDH1A1 (0.62) | ALDH1A1NPSR1LMNAACHEBCHE | |
| SCHEMBL16366240 | 0.71 | GYS1 (0.39) | 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 5 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 |
| US-5807885-A | Amidine derivatives with nitric oxide synthetase activities | ASTRA AKTIEBOLAG (SE) | 1998-09-15 | — | — | 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 |