Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5A | P29375 | 2/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 11/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL7259369 | 0.81 | ADRA2A (0.55) | KDM5AADRB2ADRB1ADRB3ADRA1A | |
| SCHEMBL6812666 | 0.81 | KDM5A (0.50) | KDM5AADRB2ADRB1ADRB3ADRA1A | |
| SCHEMBL11247792 | 0.78 | KDM5A (0.55) | KDM5AADRB2ADRB1ADRB3ADRA1A | |
| SCHEMBL13074401 | 0.77 | KDM5A (0.53) | KDM5AADRB2ADRB1ADRB3ADRA1A | |
| Hydrochloric Acid SCHEMBL11670336 | 0.76 | ADRB2 (0.55) | KDM5AADRB2ADRB1ADRB3ADRA1A | |
| SCHEMBL12463819 | 0.76 | MIF (0.59) | ADRB2ADRA1AADRA2ADRD2SLC6A3 | |
| SCHEMBL10925191 | 0.75 | KDM5A (0.44) | KDM5AADRB2ADRB1ADRB3ADRA1A | |
| SCHEMBL11170458 | 0.74 | KDM5A (0.58) | KDM5AADRB2ADRB1ADRB3ADRA1A | |
| SCHEMBL10409066 | 0.74 | DRD2 (0.61) | KDM5AADRA1ADRD2CYP3A4CYP2D6 | |
| SCHEMBL10925188 | 0.74 | HRH3 (0.46) | KDM5ASLC6A3 |
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-2005087722-A9 | DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE INC (US) | 2005-11-24 | — | — | WO | disclosed |