Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 5/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | ANPEP | P15144 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 5/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | SNCA | P37840 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7512121 | 0.77 | CYP1A2 (0.45) | CYP1A2EPHX1ANPEPMAOAPKM | |
| SCHEMBL10940258 | 0.77 | EPHX1 (0.44) | MAOBCYP1A2EPHX1ANPEPMAOA | |
| SCHEMBL28422388 | 0.74 | TAAR1 (0.43) | CYP1A2CYP2D6TSHRCYP3A4EPHX1 | |
| SCHEMBL2748352 | 0.73 | MAOB (0.56) | MAOBCYP1A2CYP2D6TSHRCYP3A4 | |
| SCHEMBL9793910 | 0.73 | MAOB (0.47) | MAOBCYP1A2CYP2D6TSHRCYP3A4 | |
| SCHEMBL28010555 | 0.73 | MAOB (0.47) | MAOBCYP1A2CYP2D6TSHRCYP3A4 | |
| SCHEMBL4950698 | 0.73 | EPHX1 (0.56) | MAOBCYP1A2CYP2D6TSHRCYP3A4 | |
| SCHEMBL134502 | 0.73 | MAOB (0.47) | MAOBCYP1A2CYP2D6TSHRCYP3A4 | |
| SCHEMBL4730309 | 0.73 | EPHX1 (0.56) | MAOBCYP1A2CYP2D6TSHRCYP3A4 | |
| SCHEMBL4650877 | 0.72 | EPHX1 (0.55) | CYP1A2CYP2D6EPHX1ANPEPMAOA |
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-2011094708-A2 | SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATIING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS | DANA-FARBER CANCER INSTITUTE, INC (US) | 2011-08-04 | — | — | WO | disclosed |