Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | GABBR2 | O75899 | 2/20 | 0.53 |
| ▸ | GABBR1 | Q9UBS5 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.46 |
| ▸ | DRD3 | P35462 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | EDNRB | P24530 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | MC4R | P32245 | 1/20 | 0.46 |
| ▸ | MC3R | P41968 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8187229 | 1.00 | CYP2D6 (0.56) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| SCHEMBL1059563 | 1.00 | CYP2D6 (0.56) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| Acetic Acid SCHEMBL8188055 | 0.94 | ALDH1A1 (0.54) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| Acetic Acid SCHEMBL8178315 | 0.94 | ALDH1A1 (0.54) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| Acetic Acid SCHEMBL8177844 | 0.94 | ALDH1A1 (0.54) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| Sulfamate SCHEMBL8188608 | 0.91 | CYP1A2 (0.49) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| Sulfamate SCHEMBL8177851 | 0.91 | CYP1A2 (0.49) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| Sulfamate SCHEMBL8187381 | 0.91 | CYP1A2 (0.49) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| SCHEMBL9105247 | 0.90 | ALDH1A1 (0.63) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| Carbamic Acid SCHEMBL7292389 | 0.85 | CYP2D6 (0.57) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101981036-B | Pyrrolo [2, 3-D] pyridines and use thereof as tyrosine kinase inhibitors | NOVARTIS AG | 2013-09-04 | — | — | CN | disclosed |
| EP-0801642-B1 | NOVEL SULFAMATE COMPOUND CONTAINING N-SUBSTITUTED CARBAMOYL GROUP AND METHOD FOR PREPARING THE SAME | YUKONG LTD (KR) | 2000-12-20 | — | — | EP | disclosed |
| US-5892088-A | Sulfamate compound containing N-substituted carbamoyl group and method for preparing the same | YUKONG LIMITED (KR) | 1999-04-06 | — | — | US | disclosed |
| EP-0801642-A1 | NOVEL SULFAMATE COMPOUND CONTAINING N-SUBSTITUTED CARBAMOYL GROUP AND METHOD FOR PREPARING THE SAME | YUKONG LIMITED (KR) | 1997-10-22 | — | — | EP | disclosed |
| WO-1997016418-A1 | NOVEL SULFAMATE COMPOUND CONTAINING N-SUBSTITUTED CARBAMOYL GROUP AND METHOD FOR PREPARING THE SAME | YUKONG LIMITED (KR) | 1997-05-09 | — | — | WO | disclosed |