Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SSTR4 | P31391 | 1/20 | 0.47 |
| ▸ | AKT1 | P31749 | 2/20 | 0.46 |
| ▸ | AKT2 | P31751 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 2/20 | 0.43 |
| ▸ | CNR2 | P34972 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TACR3 | P29371 | 2/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL89721 | 0.97 | SSTR4 (0.50) | SSTR4AKT1AKT2CNR1CNR2 | |
| SCHEMBL2554955 | 0.94 | AKT1 (0.47) | SSTR4AKT1AKT2CNR1CNR2 | |
| SCHEMBL12133598 | 0.89 | AKT1 (0.45) | SSTR4AKT1AKT2CNR1CNR2 | |
| SCHEMBL3892253 | 0.88 | OPRM1 (0.45) | SSTR4AKT1AKT2CNR1CNR2 | |
| SCHEMBL1534790 | 0.88 | AKT1 (0.44) | SSTR4AKT1AKT2CNR1CNR2 | |
| Hydrochloric Acid SCHEMBL27552695 | 0.87 | OPRM1 (0.44) | SSTR4AKT1AKT2CNR1CNR2 | |
| SCHEMBL2191957 | 0.87 | MAPT (0.46) | SSTR4AKT1AKT2CNR1CNR2 | |
| SCHEMBL1412064 | 0.87 | CNR1 (0.44) | SSTR4AKT1AKT2CNR1CNR2 | |
| SCHEMBL14161397 | 0.87 | AKT1 (0.42) | AKT1AKT2CNR1CNR2HDAC3 | |
| SCHEMBL16420447 | 0.86 | CNR1 (0.47) | AKT1AKT2CNR1CNR2POLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020120606-A1 | NEW PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-06-18 | — | — | WO | disclosed |
| EP-3107900-B1 | 5-BENZYLISOQUINOLEINE DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR DISEASES | SERVIER LAB (FR) | 2017-11-15 | — | — | EP | disclosed |
| CN-105315161-B | The preparation method of the key intermediate of one class PKB/Akt inhibitor | 厦门医学院 | 2017-08-04 | — | — | CN | disclosed |
| WO-2015124877-A1 | DERIVATIVES OF 5-BENZYLISOQUINOLINE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES | LES LABORATOIRES SERVIER (FR) | 2015-08-27 | — | — | WO | disclosed |