Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 5/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 4/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | SNCA | P37840 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL9706157 | 0.82 | ADRA2A (0.40) | ADRA2AADRA2BPGRHTR2AHRH1 | |
| SCHEMBL31173097 | 0.77 | IRAK4 (0.43) | ADRA2AADRA2BKCNH2CYP1A2ADRA2C | |
| SCHEMBL544279 | 0.77 | IRAK4 (0.43) | ADRA2AADRA2BKCNH2CYP1A2ADRA2C | |
| SCHEMBL11600086 | 0.76 | CA12 (0.48) | ADRA2AADRA2BCYP1A2ADRA2CCYP2D6 | |
| SCHEMBL9446669 | 0.72 | HPGD (0.38) | HTR2AKCNH2CYP1A2CYP2D6TSHR | |
| SCHEMBL7944121 | 0.71 | MAOB (0.31) | MAOBTSHR | |
| SCHEMBL18297671 | 0.70 | DRD1 (0.39) | KCNH2CYP2D6KDM4E | |
| SCHEMBL31543913 | 0.70 | DRD1 (0.39) | KCNH2CYP2D6KDM4E | |
| SCHEMBL31546843 | 0.70 | ALDH1A1 (0.50) | CYP1A2CYP2D6MAPK1KDM4E | |
| SCHEMBL544603 | 0.70 | ALDH1A1 (0.50) | CYP1A2CYP2D6MAPK1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2074120-B1 | TROPANE COMPOUNDS | EXELIXIS INC (US) | 2010-03-03 | — | — | EP | claimed |