Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HRH1 | P35367 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11746533 | 0.92 | SIGMAR1 (0.47) | TAAR1SIGMAR1KDM4EAOC3HTR2A | |
| SCHEMBL11749242 | 0.92 | TAAR1 (0.45) | TAAR1SIGMAR1KDM4EAOC3HTR2A | |
| SCHEMBL11747164 | 0.88 | TAAR1 (0.47) | TAAR1SIGMAR1KDM4EAOC3HTR2A | |
| SCHEMBL11745284 | 0.78 | HTR2A (0.41) | TAAR1SIGMAR1KDM4EHTR2AHRH1 | |
| SCHEMBL11501576 | 0.77 | TAAR1 (0.50) | TAAR1SIGMAR1KDM4EHTR2AHRH1 | |
| SCHEMBL11418422 | 0.76 | HTR2A (0.46) | TAAR1KDM4EHTR2AHRH1CHRM2 | |
| SCHEMBL4799370 | 0.75 | MMP2 (0.55) | SLC6A2SLC6A4SLC6A3KCNH2TSHR | |
| SCHEMBL11743627 | 0.74 | KCNH2 (0.47) | SIGMAR1KDM4ECHRM2ADRA2ADRD1 | |
| SCHEMBL11742520 | 0.73 | HTR2A (0.53) | KDM4EAOC3HTR2AHRH1CHRM2 | |
| Antergan SCHEMBL94485 | 0.72 | TSHR (0.62) | TAAR1SIGMAR1KDM4EAOC3HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4060630-A | Ethylenediamine derivatives useful in treating sickle cell anemia | RICHARDSON-MERRELL INC. (US) | 1977-11-29 | — | — | US | disclosed |