Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MME | P08473 | 8/20 | 0.37 |
| ▸ | ACE | P12821 | 7/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CPA1 | P15085 | 2/20 | 0.36 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1336531 | 0.85 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2D6MMEACE | |
| SCHEMBL8719652 | 0.83 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2D6TP53TSHR | |
| SCHEMBL3392101 | 0.78 | HRH3 (0.43) | TSHR | |
| SCHEMBL196800 | 0.78 | TAAR1 (0.48) | TSHRADRB3AKR1C2 | |
| SCHEMBL8157608 | 0.78 | TAAR1 (0.57) | CYP2D6TSHRADRB1ADRB3 | |
| SCHEMBL8721457 | 0.78 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2D6MMEACE | |
| SCHEMBL4057353 | 0.77 | PTGS1 (0.48) | ALDH1A1TSHRADRB3MAPTAKR1C2 | |
| SCHEMBL21176913 | 0.77 | TSHR (0.37) | TP53TSHRADRB3AKR1C2 | |
| Hydrochloric Acid SCHEMBL21352581 | 0.76 | HRH3 (0.41) | ALDH1A1CYP1A2CYP2D6TSHR | |
| SCHEMBL12002693 | 0.76 | SIGMAR1 (0.42) | ALDH1A1CYP1A2CYP2D6MMEGABRA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1893562-A1 | REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B | Merck Frosst Canada Ltd. (CA) | 2008-03-05 | — | — | EP | claimed |
| WO-2006133559-A1 | REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B | MERCK FROSST CANADA LTD. (CA) | 2006-12-21 | — | — | WO | claimed |