Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 12/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 11/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | F12 | P00748 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | GRK6 | P43250 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4051945 | 0.84 | CYP1A2 (0.43) | CYP1A2ADORA3ADORA2AADORA1F2 | |
| SCHEMBL4050458 | 0.80 | CYP1A2 (0.41) | CYP1A2ADORA3ADORA2AADORA1F2 | |
| SCHEMBL5360457 | 0.78 | HDAC6 (0.53) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL4048868 | 0.76 | ADORA3 (0.41) | CYP1A2ADORA3ADORA2AADORA1HDAC1 | |
| SCHEMBL4049526 | 0.75 | ADORA3 (0.38) | CYP1A2ADORA3ADORA2AADORA1F2 | |
| SCHEMBL4047830 | 0.73 | MAPT (0.47) | MEN1ALDH1A1TSHRKMT2A | |
| SCHEMBL8112180 | 0.67 | HDAC6 (0.72) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL14345530 | 0.64 | HDAC6 (0.47) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL8963341 | 0.61 | TSHR (0.49) | ADORA3ADORA2AADORA1ALDH1A1HPGD | |
| SCHEMBL28048796 | 0.61 | CYP1A2 (0.58) | CYP1A2ADORA3ADORA2AADORA1F2 |
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-2009026701-A1 | SIRTUIN INHIBITORS | METHYLGENE INC. (CA) | 2009-03-05 | — | — | WO | disclosed |