Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 2/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.40 |
| ▸ | SMYD2 | Q9NRG4 | 1/20 | 0.40 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.39 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30697968 | 0.67 | KMT2A (0.59) | SIRT5ALDH1A1HSD17B10MAPTGAA | |
| SCHEMBL4178625 | 0.66 | GAA (0.65) | SIRT5ALDH1A1HSD17B10MAPTGAA | |
| SCHEMBL15568577 | 0.66 | BRD4 (0.45) | ALDH1A1HSD17B10GAAHPGDBRD4 | |
| SCHEMBL6266180 | 0.66 | CYP1A2 (0.50) | ALDH1A1HSD17B10MAPTGAAHPGD | |
| SCHEMBL15569873 | 0.65 | BRD4 (0.38) | ALDH1A1HSD17B10MAPTGAAHPGD | |
| SCHEMBL301996 | 0.65 | CA1 (0.71) | ALDH1A1HSD17B10MAPTGAAHPGD | |
| SCHEMBL29788337 | 0.65 | CA1 (0.71) | ALDH1A1HSD17B10MAPTGAAHPGD | |
| SCHEMBL29429633 | 0.65 | CA1 (0.71) | ALDH1A1HSD17B10MAPTGAAHPGD | |
| SCHEMBL28402110 | 0.64 | SIRT5 (0.65) | SIRT5ALDH1A1HSD17B10MAPTGAA | |
| SCHEMBL15569789 | 0.64 | TUBB4A (0.41) | BRD4 |
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-2885299-A1 | INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A | AbbVie Deutschland GmbH & Co KG (DE) | 2015-06-24 | — | — | EP | disclosed |
| WO-2014027078-A1 | INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A | AbbVie Deutschland GmbH & Co. KG (DE) | 2014-02-20 | — | — | WO | disclosed |