Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | HTT | P42858 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.44 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30557800 | 1.00 | ALDH1A1 (0.44) | ALDH1A1HTTHPGDNPSR1HSP90AA1 | |
| Hydrochloric Acid SCHEMBL3607612 | 0.99 | ALDH1A1 (0.43) | ALDH1A1HTTHPGDNPSR1HSP90AA1 | |
| SCHEMBL4266773 | 0.87 | ALOX5 (0.49) | ALDH1A1LMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL3593426 | 0.86 | ALOX5 (0.48) | ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL20941498 | 0.83 | L3MBTL1 (0.42) | ALDH1A1MEN1KMT2A | |
| SCHEMBL21863867 | 0.83 | MMP2 (0.44) | ALDH1A1HPGDHSD17B10MAPTMEN1 | |
| Hydrochloric Acid SCHEMBL22390475 | 0.82 | ALDH1A1 (0.41) | ALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL22390476 | 0.82 | ALDH1A1 (0.41) | ALDH1A1MEN1KMT2A | |
| SCHEMBL17062498 | 0.82 | ALDH1A1 (0.44) | ALDH1A1HSD17B10KDM4EUSP2TSHR | |
| SCHEMBL21413824 | 0.82 | ALDH1A1 (0.44) | ALDH1A1HSD17B10KDM4EUSP2TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2039695-A1 | BICYCLIC HETEROCYCLIC COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-03-25 | — | — | EP | disclosed |