Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | CRHR1 | P34998 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | TYR | P14679 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL1494189 | 0.81 | CYP2D6 (0.46) | HPGDCYP2D6ADRA2AADRA1AGAA | |
| SCHEMBL13637390 | 0.80 | RORC (0.54) | HPGDCYP2D6ADRA2AADRA1AABCB11 | |
| SCHEMBL30562928 | 0.80 | RORC (0.54) | HPGDCYP2D6ADRA2AADRA1AABCB11 | |
| SCHEMBL11437277 | 0.80 | CA12 (0.50) | CYP2D6ADRA2AADRA1AADRB2ADRB1 | |
| SCHEMBL13778067 | 0.80 | CRHR1 (0.45) | HPGDCYP2D6ADRA2AADRA1AABCB11 | |
| SCHEMBL11251015 | 0.80 | CYP2D6 (0.59) | CYP2D6ADRA2AADRA1AADRB2ADRB1 | |
| SCHEMBL12606793 | 0.80 | CA12 (0.50) | CYP2D6ADRA2AADRA1AADRB2ADRB1 | |
| SCHEMBL10172021 | 0.80 | CA12 (0.50) | CYP2D6ADRA2AADRA1AADRB2ADRB1 | |
| SCHEMBL20738509 | 0.79 | CYP2D6 (0.41) | CYP2D6ADRA2AADRA1AABCB11CRHR1 | |
| SCHEMBL19578674 | 0.79 | CYP2D6 (0.41) | CYP2D6ADRA2AADRA1AABCB11CRHR1 |
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-2473504-A2 | HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK | Bioenergenix (US) | 2012-07-11 | — | — | EP | disclosed |