Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | WEE1 | P30291 | 4/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | KDM5A | P29375 | 1/20 | 0.33 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | HTR1D | P28221 | 1/20 | 0.31 |
| ▸ | TDP2 | O95551 | 2/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.30 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16099365 | 0.85 | CYP2D6 (0.35) | CYP2D6ADORA3ADORA2AKDM5AHASPIN | |
| SCHEMBL16099097 | 0.85 | HASPIN (0.45) | CYP2D6HASPINHTR2AHTR2CDYRK1A | |
| SCHEMBL16098699 | 0.84 | ADORA3 (0.44) | CYP2D6ADORA3ADORA2AWEE1CHEK1 | |
| SCHEMBL2565027 | 0.82 | HASPIN (0.49) | CYP2D6ADORA3ADORA2AHASPINTDP1 | |
| SCHEMBL16099686 | 0.80 | NFATC1 (0.41) | CYP2D6WEE1CHEK1DYRK1ACNR2 | |
| SCHEMBL16097799 | 0.78 | ADORA3 (0.33) | ADORA3ADORA2AROCK2SCN9A | |
| SCHEMBL16094165 | 0.77 | HASPIN (0.41) | CYP2D6HASPINHTR2AHTR2CDYRK1A | |
| SCHEMBL16100179 | 0.74 | PLK1 (0.43) | CNR2 | |
| SCHEMBL16098616 | 0.72 | ADORA3 (0.32) | ADORA3ADORA2A | |
| SCHEMBL16099514 | 0.70 | DYRK1A (0.49) | CYP2D6ADORA3ADORA2AHASPINHTR2A |
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-2968284-A2 | ALKYL-AMINE HARMINE DERIVATIVES FOR PROMOTING BONE GROWTH | Osteoqc Inc. (CA) | 2016-01-20 | — | — | EP | disclosed |
| WO-2014153203-A2 | ALKYL-AMINE HARMINE DERIVATIVES FOR PROMOTING BONE GROWTH | OSSIFI INC. (US) | 2014-09-25 | — | — | WO | disclosed |