Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 3/20 | 0.32 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL19982655 | 0.73 | CHRM2 (0.74) | CHRM2CHRM1ALOX15ADRB2ADRA2A | |
| SCHEMBL10098315 | 0.73 | CHRM2 (0.74) | CHRM2CHRM1ALOX15ADRB2ADRA2A | |
| SCHEMBL1116219 | 0.70 | CHRM2 (0.67) | CHRM2CHRM1ALOX15ADRB2ADRA2A | |
| SCHEMBL10098329 | 0.70 | CHRM2 (0.73) | CHRM2CHRM1ALOX15ADRB2ADRA2A | |
| SCHEMBL1116232 | 0.70 | CHRM2 (0.67) | CHRM2CHRM1ALOX15ADRB2ADRA2A | |
| SCHEMBL6757054 | 0.69 | CHRM2 (0.52) | CHRM2CHRM1ALOX15ADRB2ADRA2A | |
| Fesoterodine SCHEMBL121127 | 0.68 | CHRM2 (1.00) | CHRM2CHRM1ALOX15ADRB2ADRA2A | |
| SCHEMBL16166473 | 0.68 | CHRM2 (0.70) | CHRM2CHRM1ALOX15ADRB2ADRA2A | |
| SCHEMBL724335 | 0.68 | CHRM2 (0.84) | CHRM2CHRM1ALOX15ADRB2ADRA2A | |
| Fesoterodine SCHEMBL812986 | 0.68 | CHRM2 (1.00) | CHRM2CHRM1ALOX15ADRB2ADRA2A |
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-2014167578-A2 | NOVEL POLYMORPH OF ISOBUTYRIC ACID 2-((R)-3-DIISOPROPYL AMINO-1-PHENYLPROPYL)-4-(HYDROXYMETHYL)PHENYL ESTER HYDROCHLORIDE AND PROCESS FOR PREPARATION THEREOF | MSN LABORATORIES LIMITED (IN) | 2014-10-16 | — | — | WO | disclosed |