Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | CASR | P41180 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5685856 | 1.00 | SIGMAR1 (0.54) | SIGMAR1POLBCYP3A4CHRM2HTR1A | |
| SCHEMBL5321390 | 1.00 | SIGMAR1 (0.54) | SIGMAR1POLBCYP3A4CHRM2HTR1A | |
| SCHEMBL20848073 | 1.00 | SIGMAR1 (0.54) | SIGMAR1POLBCYP3A4CHRM2HTR1A | |
| SCHEMBL8586185 | 0.98 | SIGMAR1 (0.56) | SIGMAR1POLBCYP3A4CHRM2HTR1A | |
| SCHEMBL19954192 | 0.85 | SIGMAR1 (0.61) | SIGMAR1POLBCYP3A4CHRM2HTR1A | |
| SCHEMBL19563117 | 0.85 | SIGMAR1 (0.61) | SIGMAR1POLBCYP3A4CHRM2HTR1A | |
| SCHEMBL11132051 | 0.79 | SIGMAR1 (0.64) | SIGMAR1CYP3A4HTR1AADRA2ASLC6A2 | |
| SCHEMBL9023233 | 0.79 | MMP2 (0.40) | SIGMAR1POLBCHRM2CHRM1ADRA1A | |
| Hydrochloric Acid SCHEMBL11133875 | 0.78 | SIGMAR1 (0.62) | SIGMAR1CYP3A4HTR1AADRA2ASLC6A2 | |
| SCHEMBL172344 | 0.77 | SIGMAR1 (0.66) | SIGMAR1POLBCYP3A4CHRM2HTR1A |
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-2646008-A1 | TRANSDERMAL THERAPEUTIC SYSTEM (TTS) COMPRISING ROTIGOTINE | Ratiopharm GmbH (DE) | 2013-10-09 | — | — | EP | disclosed |
| WO-2012072650-A1 | TRANSDERMAL THERAPEUTIC SYSTEM (TTS) COMPRISING ROTIGOTINE | RATIOPHARM GMBH (DE) | 2012-06-07 | — | — | WO | disclosed |