Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.43 |
| ▸ | CDK9 | P50750 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | EPM2A | O95278 | 1/20 | 0.41 |
| ▸ | PTPRC | P08575 | 1/20 | 0.41 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.41 |
| ▸ | CDC14A | Q9UNH5 | 1/20 | 0.41 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.41 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.40 |
| ▸ | WNT3A | P56704 | 2/20 | 0.40 |
| ▸ | GPR183 | P32249 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL6733 | 0.94 | CYP2A6 (0.50) | CYP2A6IDO1DYRK1ACDK9PIM1 | |
| Acetaldehyde SCHEMBL4860532 | 0.86 | CYP2A6 (0.55) | CYP2A6IDO1DYRK1ACDK9PIM1 | |
| Trifluoromethanesulfonic Acid SCHEMBL28759270 | 0.79 | EPM2A (0.47) | CYP2A6IDO1PIM1EPM2APTPRC | |
| SCHEMBL27741085 | 0.78 | DYRK1A (0.65) | CYP2A6DYRK1ACDK9CA2CA12 | |
| SCHEMBL15544212 | 0.76 | DYRK1A (0.40) | CYP2A6IDO1DYRK1ACTNNB1WNT3A | |
| SCHEMBL103816 | 0.76 | CYP2A6 (0.44) | CYP2A6IDO1KDM4ECYP3A4CYP2D6 | |
| SCHEMBL20180505 | 0.75 | DYRK1A (0.56) | IDO1DYRK1ACDK9MAOACA2 | |
| SCHEMBL28904522 | 0.74 | GPR183 (0.52) | CYP2A6IDO1CTNNB1WNT3AGPR183 | |
| SCHEMBL9581238 | 0.74 | CYP2A6 (0.42) | CYP2A6IDO1KDM4ECYP3A4CYP2D6 | |
| SCHEMBL7406922 | 0.72 | DYRK1A (0.46) | DYRK1ACDK9CA2CA12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106083719-B | The method for preparing isoquinoline compound | 菲布罗根有限公司 | 2019-10-18 | — | — | CN | disclosed |
| CN-106083719-A | The method preparing isoquinoline compound | 菲布罗根有限公司 | 2016-11-09 | — | — | CN | disclosed |
| CN-103435546-B | Process for preparing isoquinoline compounds | 菲布罗根有限公司 | 2016-08-10 | — | — | CN | disclosed |