Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 6/20 | 0.38 |
| ▸ | MAOA | P21397 | 3/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.37 |
| ▸ | HTR7 | P34969 | 2/20 | 0.37 |
| ▸ | HTR2B | P41595 | 2/20 | 0.37 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2050402 | 0.72 | MEN1 (0.40) | MAOBMAOAHTR2BALDH1A1HSD17B10 | |
| SCHEMBL23406225 | 0.72 | KDM1A (0.51) | BRD4MAOBMAOAHTR2B | |
| SCHEMBL30002822 | 0.72 | BRD4 (0.42) | BRD4CHRNB2CHRNA4ADRA2AADRA1D | |
| SCHEMBL16393627 | 0.71 | BRD4 (0.51) | CYP2A6BRD4CHRNB2CHRNA4ADRA2A | |
| SCHEMBL30670472 | 0.71 | ALDH1A1 (0.46) | ALDH1A1HPGD | |
| SCHEMBL1415636 | 0.70 | KDM1A (0.54) | MAOBMAOA | |
| SCHEMBL2594422 | 0.70 | ALDH1A1 (0.50) | CYP2A6BRD4CHRNB2CHRNA4ADRA2A | |
| Ammonia Solution, Strong SCHEMBL27714733 | 0.70 | BRD4 (0.50) | BRD4CHRNB2CHRNA4ADRA2AADRA2B | |
| Hydrogen Sulfide SCHEMBL27539552 | 0.70 | BRD4 (0.50) | BRD4CHRNB2CHRNA4ADRA2AADRA2B | |
| SCHEMBL28788744 | 0.69 | TSHR (0.39) | MAOBMAOAADRA1AALDH1A1 |
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-2017216507-A1 | COMPOUNDS | THE UNIVERSITY OF WARWICK (GB) | 2017-12-21 | — | — | WO | disclosed |