Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.44 |
| ▸ | TSHR | P16473 | 6/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | DPP4 | P27487 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9708520 | 0.87 | TSHR (0.48) | ALDH1A1TSHRNPSR1MAPK1RECQL | |
| SCHEMBL9707723 | 0.84 | ALOX15 (0.48) | ALDH1A1TSHRNPSR1SMN1; SMN2ALOX15 | |
| SCHEMBL9709026 | 0.83 | KMT2A (0.43) | ALDH1A1TSHRNPSR1MAPK1HSD17B10 | |
| SCHEMBL9707663 | 0.82 | PDE5A (0.41) | KMT2A | |
| SCHEMBL9708135 | 0.82 | KMT2A (0.43) | TSHRNPSR1MAPK1HSD17B10MAPT | |
| SCHEMBL9707343 | 0.80 | KMT2A (0.44) | ALDH1A1TSHRNPSR1MAPK1RECQL | |
| SCHEMBL9708066 | 0.80 | KMT2A (0.44) | ALDH1A1TSHRNPSR1MAPK1RECQL | |
| SCHEMBL9708549 | 0.80 | KMT2A (0.45) | TSHRNPSR1MAPK1HSD17B10LMNA | |
| SCHEMBL9708354 | 0.80 | KMT2A (0.47) | ALDH1A1TSHRNPSR1MAPK1RECQL | |
| SCHEMBL9708212 | 0.80 | KMT2A (0.46) | ALDH1A1TSHRNPSR1MAPK1SMN1; SMN2 |
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-0430300-A2 | Xanthine derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1991-06-05 | — | — | EP | claimed |