Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | GABRP | O00591 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.38 |
| ▸ | GABRE | P78334 | 1/20 | 0.38 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.38 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.38 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.38 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10775641 | 0.81 | CYP1A2 (0.38) | PDE10AGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL12257176 | 0.80 | TDP1 (0.41) | PDE10AGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL10776549 | 0.79 | TDP1 (0.33) | PDE10AGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL12257178 | 0.78 | TDP1 (0.39) | PDE10AGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL15082052 | 0.77 | EGLN1 (0.42) | PDE10AGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL22229724 | 0.76 | PDE10A (0.36) | PDE10AGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL12758040 | 0.75 | PDE10A (0.38) | PDE10AGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL1026100 | 0.74 | ALDH1A1 (0.39) | PDE10AALDH1A1TDP1HSD17B10HPGD | |
| SCHEMBL12257175 | 0.74 | TDP1 (0.39) | PDE10AGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL7919954 | 0.72 | KDM4E (0.50) | GRM4ALDH1A1CYP1A2HSD17B10HPGD |
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-101970430-B | Novel pyrimidine derivatives | ACTELION PHARMACEUTICALS LTD | 2013-05-08 | — | — | CN | disclosed |
| CN-101970430-A | Novel pyrimidine derivatives | ACTELION PHARMACEUTICALS LTD | 2011-02-09 | — | — | CN | disclosed |