Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 4/20 | 0.42 |
| ▸ | CHKA | P35790 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | NCF1 | P14598 | 1/20 | 0.39 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.39 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | SMO | Q99835 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | EED | O75530 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19049368 | 0.84 | NOTUM (0.42) | GSK3BCYP2D6TSHRMAPTHTT | |
| SCHEMBL13715624 | 0.84 | NOTUM (0.42) | GSK3BCYP2D6TSHRMAPTHTT | |
| SCHEMBL27781453 | 0.84 | GRM1 (0.52) | GSK3BGRM1 | |
| SCHEMBL28956406 | 0.81 | ALDH1A1 (0.42) | HTR7MAPTHTTSMN1; SMN2 | |
| SCHEMBL14473329 | 0.79 | ALDH1A1 (0.34) | — | |
| SCHEMBL27702488 | 0.75 | GRM1 (0.54) | GSK3BPLD1GRM1CYP2D6TSHR | |
| SCHEMBL27714917 | 0.73 | GCKR (0.46) | GSK3BCHKAGRM1CYP2D6CYP2C9 | |
| SCHEMBL27930045 | 0.72 | MAPT (0.53) | GSK3BCHKACYP2D6TSHRMAPT | |
| SCHEMBL4354268 | 0.72 | TRPV1 (0.50) | — | |
| SCHEMBL2383849 | 0.71 | CHKA (0.57) | CHKAADRB2NCF1PLD1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101501035-B | Pyrimidine derivatives as PI3K inhibitors and uses thereof | CHUGAI PHARMACEUTICAL CO LTD | 2013-01-23 | — | — | CN | disclosed |
| CN-101501035-A | Pyrimidine derivatives as P13K inhibitors and uses thereof | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2009-08-05 | — | — | CN | disclosed |