Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.43 |
| ▸ | HTR2C | P28335 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.37 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.37 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.37 |
| ▸ | XIAP | P98170 | 2/20 | 0.34 |
| ▸ | BIRC2 | Q13490 | 2/20 | 0.34 |
| ▸ | HSD17B3 | P37058 | 3/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29209110 | 0.67 | OPRM1 (0.39) | HTR2AHTR2CCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17099543 | 0.67 | NPC1 (0.36) | HTR2AHTR2CCYP1A2CYP3A4CYP2D6 | |
| Isobutyramide SCHEMBL17099457 | 0.63 | HPGD (0.39) | GFERDPP8DPP9DPP7 | |
| SCHEMBL9082861 | 0.61 | SLC22A12 (0.41) | HTR2AHTR2CCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7674586 | 0.61 | HTR2A (1.00) | HTR2AHTR2CCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28838934 | 0.61 | HSD17B3 (0.42) | DPP8DPP9DPP7HSD17B3CARM1 | |
| SCHEMBL29462310 | 0.61 | HTR2A (1.00) | HTR2AHTR2CCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL905755 | 0.61 | HTR2A (1.00) | HTR2AHTR2CCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19016045 | 0.60 | BRD4 (0.35) | HTR2AHTR2CCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL22447473 | 0.59 | MCL1 (0.63) | LMNAHDAC1HDAC6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015143376-A1 | NOVEL COMPOUNDS FOR THE TREATMENT OF CYSTIC FIBROSIS | NIVALIS THERAPEUTICS, INC. (US) | 2015-09-24 | — | — | WO | disclosed |