Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.45 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.45 |
| ▸ | KDM1A | O60341 | 5/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | DRD4 | P21917 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| SCHEMBL12200036 | 0.89 | BCHE (0.47) | GAAKDM4EMAPTHTTKMT2A | |
| SCHEMBL1680336 | 0.83 | BCHE (0.57) | KDM4EMAPTKMT2ABCHE | |
| SCHEMBL3346743 | 0.83 | BCHE (0.57) | KDM4EMAPTKMT2ABCHE | |
| SCHEMBL990798 | 0.83 | BCHE (0.57) | KDM4EMAPTKMT2ABCHE | |
| Hydrochloric Acid SCHEMBL987382 | 0.82 | BCHE (0.56) | KDM4EMAPTKMT2ABCHE | |
| Acetic Acid SCHEMBL3169809 | 0.80 | MTNR1B (0.54) | KDM4EMAPTKMT2ABCHE | |
| Acetic Acid SCHEMBL990742 | 0.80 | MTNR1B (0.54) | KDM4EMAPTKMT2ABCHE | |
| Hydrochloric Acid SCHEMBL3654652 | 0.79 | BCHE (0.47) | ADRB2TBXA2RGAAKDM4EMAPT | |
| SCHEMBL1364512 | 0.74 | L3MBTL1 (0.41) | ADRB2TBXA2RKDM1A | |
| SCHEMBL1364766 | 0.72 | L3MBTL1 (0.43) | ADRB2TBXA2RKDM1A |
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-2227455-B1 | TRISUBSTITUTED 3,4-DIHYDRO-1H-ISOQUINOLIN COMPOUND, PROCESS FOR ITS PREPARATION, AND ITS USE | ACTELION PHARMACEUTICALS LTD (CH) | 2011-10-12 | — | — | EP | disclosed |