Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.48 |
| ▸ | HTR3B | O95264 | 1/20 | 0.48 |
| ▸ | HTR3A | P46098 | 1/20 | 0.48 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.48 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.48 |
| ▸ | NOS3 | P29474 | 2/20 | 0.42 |
| ▸ | NOS1 | P29475 | 2/20 | 0.42 |
| ▸ | NOS2 | P35228 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MPI | P34949 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28755007 | 0.78 | HTR3E (0.48) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL130894 | 0.75 | — | — | |
| SCHEMBL5174355 | 0.74 | HTR3E (0.58) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL3284038 | 0.74 | HTR3E (0.58) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL10905395 | 0.71 | ALDH1A1 (0.45) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL9608571 | 0.70 | — | — | |
| SCHEMBL2477042 | 0.70 | — | — | |
| SCHEMBL2238457 | 0.70 | — | — | |
| SCHEMBL2477043 | 0.70 | — | — | |
| SCHEMBL3233290 | 0.70 | — | — |
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-0598396-B1 | Improved method for the preparation of 3-Amino-2-chloro-4-alkylpyridines | BOEHRINGER INGELHEIM PHARMA (US) | 1998-09-02 | — | — | EP | disclosed |
| US-5654429-A | REACTING 3-AMINO-2-CHLOROPYRIDINE WITH A SULFIDE IN PRESENCE OF HALOGENATING AGENT, HEATING IN PRESENCE OF TRIETHYLAMINE, METHANESULFONIC ACID AND ORGANIC SOLVENT(OR PHENOL AND SOLVENT), THEN HEATING WITH ETHANOL AND RANEY NICKEL | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 1997-08-05 | — | — | US | disclosed |
| EP-0598396-A1 | Improved method for the preparation of 3-Amino-2-chloro-4-alkylpyridines | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 1994-05-25 | — | — | EP | disclosed |