Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | NOS1 | P29475 | 2/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.38 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | F11 | P03951 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 2/20 | 0.34 |
| ▸ | CMA1 | P23946 | 1/20 | 0.34 |
| ▸ | F7 | P08709 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | F3 | P13726 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 3/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2749728 | 0.78 | CYP2A6 (0.46) | CYP2A6NOS1NR4A2DYRK1APDGFRB | |
| SCHEMBL14330642 | 0.78 | CYP2A6 (0.46) | CYP2A6NOS1NR4A2DYRK1APDGFRB | |
| SCHEMBL4386257 | 0.78 | CYP2A6 (0.57) | CYP2A6NOS1NR4A2DYRK1AHTR3A | |
| SCHEMBL558994 | 0.78 | PDPK1 (0.57) | CYP2A6NOS1NR4A2DYRK1ALTA4H | |
| SCHEMBL933672 | 0.78 | CYP2A6 (0.46) | CYP2A6NOS1DYRK1AABL1GRM4 | |
| SCHEMBL8268451 | 0.78 | CYP1A2 (0.54) | CYP2A6ABL1 | |
| SCHEMBL10024955 | 0.78 | ALDH1A1 (0.46) | GRM4TP53CDC7CDK2 | |
| SCHEMBL17336629 | 0.78 | NOS1 (0.38) | NOS1NPC1ABL1GRM4CDC7 | |
| SCHEMBL10978740 | 0.78 | L3MBTL1 (0.50) | CYP2A6PDGFRBPDGFRAABL1 | |
| SCHEMBL16295919 | 0.78 | CYP1A2 (0.46) | ABL1 |
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-103562199-B | As the tripeptides mixing deuterium of hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB CO. (US) | 2016-03-30 | — | — | CN | disclosed |
| CN-103562199-A | Tripeptides incorporating deuterium as inhibitors of hepatitis c virus | BRISTOL MYERS SQUIBB CO | 2014-02-05 | — | — | CN | disclosed |
| EP-0048539-B1 | ISOQUINOLYLOXY(AMINO)PHENOXYALKANE CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR SYNTHESIS, HERBICIDAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS HERBICIDES | ICI AUSTRALIA LIMITED (AU) | 1985-08-28 | — | — | EP | disclosed |
| US-4409017-A | Herbicidal isoquinolinoxy- or isoquinolinamino-phenoxy alkane carboxylic acid derivatives | ICI AUSTRALIA LIMITED (AU) | 1983-10-11 | — | — | US | disclosed |
| EP-0048539-A1 | Isoquinolyloxy(amino)phenoxyalkane carboxylic acid derivatives, process for their synthesis, herbicidal compositions containing them and their use as herbicides | ICI AUSTRALIA LIMITED (AU) | 1982-03-31 | — | — | EP | disclosed |