Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 7/20 | 0.60 |
| ▸ | HTR2B | P41595 | 7/20 | 0.60 |
| ▸ | HTR2A | P28223 | 6/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | MTR | Q99707 | 1/20 | 0.44 |
| ▸ | METAP1 | P53582 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | HTR3A | P46098 | 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 | |
|---|---|---|---|---|
| SCHEMBL13119322 | 1.00 | HTR2C (0.60) | HTR2CHTR2BHTR2AALDH1A1GAA | |
| SCHEMBL7510869 | 0.98 | HTR2C (0.58) | HTR2CHTR2BHTR2AALDH1A1GAA | |
| SCHEMBL28985479 | 0.85 | HTR2C (0.54) | HTR2CHTR2BHTR2AMTRHTR3A | |
| SCHEMBL7230144 | 0.84 | HTR2C (0.52) | HTR2CHTR2BHTR2AALDH1A1GAA | |
| SCHEMBL34468176 | 0.81 | HTR2C (0.49) | HTR2CHTR2BHTR2AALDH1A1GAA | |
| SCHEMBL21040315 | 0.78 | HTR2C (0.56) | HTR2CHTR2BHTR2AMTR | |
| SCHEMBL2183088 | 0.78 | MTR (0.60) | HTR2CHTR2BHTR2AMTR | |
| SCHEMBL31252793 | 0.78 | MTR (0.60) | HTR2CHTR2BHTR2AMTR | |
| SCHEMBL6300391 | 0.77 | OPRM1 (0.47) | ALDH1A1GAAHPGDHSD17B10 | |
| SCHEMBL31252781 | 0.77 | MTR (0.59) | ALDH1A1GAAHPGDHSD17B10MTR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0861250-B1 | AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2002-02-13 | — | — | EP | disclosed |
| US-6140322-A | Amidine and isothiourea derivatives as inhibitors of nitric oxide synthase | ASTRA AKTIEBOLAG (SE) | 2000-10-31 | — | — | US | disclosed |
| US-5929085-A | Amidine and isothiourea derivatives, compositions containing them and their use as inhibitors of nitric oxide synthase | ASTRA AKTIEBOLAG (SE) | 1999-07-27 | — | — | US | disclosed |