Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.32 |
| ▸ | CDK9 | P50750 | 2/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.30 |
| ▸ | MLNR | O43193 | 1/20 | 0.30 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.30 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.30 |
| ▸ | GMNN | O75496 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | USP1 | O94782 | 1/20 | 0.30 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.30 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12061562 | 0.70 | KIT (0.39) | HRH4CHRM2CHRM1CHRM3CHRNA3 | |
| SCHEMBL14058 | 0.70 | KIT (0.38) | HRH4CHRM2CHRM1CHRM3CHRNA3 | |
| SCHEMBL3595429 | 0.56 | DRD2 (0.59) | HTR2AMEN1TP53CYP1A2CYP3A4 | |
| SCHEMBL11830521 | 0.56 | SIGMAR1 (0.64) | MEN1DRD2MAPK1KMT2A | |
| SCHEMBL6972033 | 0.55 | SCN5A (0.41) | HTR2ACCNT1CDK9CHRM1CYP2D6 | |
| SCHEMBL228454 | 0.55 | HTR2A (0.70) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL10978992 | 0.55 | — | — | |
| SCHEMBL855029 | 0.55 | GNAI3 (0.40) | CHRM3SLC6A4SMN1; SMN2HRH3 | |
| SCHEMBL855030 | 0.55 | GNAI3 (0.40) | CHRM3SLC6A4SMN1; SMN2HRH3 | |
| SCHEMBL856513 | 0.55 | GNAI3 (0.40) | CHRM3SLC6A4SMN1; SMN2HRH3 |
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-2011047319-A2 | ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | RIB-X PHARMACEUTICALS, INC. (US) | 2011-04-21 | — | — | WO | disclosed |