Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 2/20 | 0.50 |
| ▸ | HTR3A | P46098 | 3/20 | 0.49 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.46 |
| ▸ | HTR3B | O95264 | 2/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.46 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28610794 | 0.83 | HSD17B10 (0.67) | HTR6HTR3AKDM4EALDH1A1MAPK1 | |
| SCHEMBL15566411 | 0.81 | GPR6 (0.60) | HTR6 | |
| Hydrochloric Acid SCHEMBL15566557 | 0.80 | GPR6 (0.59) | HTR6 | |
| Hydrochloric Acid SCHEMBL15566736 | 0.80 | GPR6 (0.59) | HTR6 | |
| SCHEMBL4472647 | 0.79 | CYP1A2 (0.72) | HTR6HTR3AHRH4KDM4EALDH1A1 | |
| SCHEMBL31652347 | 0.79 | CYP1A2 (0.72) | HTR6HTR3AHRH4KDM4EALDH1A1 | |
| SCHEMBL188615 | 0.76 | MAPT (0.64) | HTR6KDM4EALDH1A1MAPK1HSD17B10 | |
| SCHEMBL4307835 | 0.76 | HTR3A (0.66) | HTR6HTR3AHRH4KDM4EALDH1A1 | |
| SCHEMBL31143046 | 0.76 | HTR3A (0.66) | HTR6HTR3AHRH4KDM4EALDH1A1 | |
| SCHEMBL15567350 | 0.76 | GPR6 (0.64) | HTR6HTR3ACYP1A2CYP3A4HTR3E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2056829-B9 | USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER | EXELIXIS INC (US) | 2012-09-26 | — | — | EP | disclosed |
| EP-2056829-B1 | USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER | EXELIXIS INC (US) | 2012-01-04 | — | — | EP | disclosed |