Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.67 |
| ▸ | TSHR | P16473 | 8/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 8/20 | 0.67 |
| ▸ | HPGD | P15428 | 6/20 | 0.67 |
| ▸ | LMNA | P02545 | 3/20 | 0.67 |
| ▸ | MAPT | P10636 | 3/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.65 |
| ▸ | POLB | P06746 | 4/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | JAK2 | O60674 | 1/20 | 0.61 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.60 |
| ▸ | USP2 | O75604 | 2/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | HK1 | P19367 | 1/20 | 0.60 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | GLA | P06280 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL14137941 | 0.85 | ALDH1A1 (0.68) | ALDH1A1HSD17B10TSHRMAPK1HPGD | |
| SCHEMBL30640051 | 0.84 | ALDH1A1 (0.67) | ALDH1A1HSD17B10TSHRMAPK1HPGD | |
| SCHEMBL5117237 | 0.84 | ALDH1A1 (0.67) | ALDH1A1HSD17B10TSHRMAPK1HPGD | |
| SCHEMBL4458547 | 0.82 | GPR84 (0.62) | ALDH1A1HSD17B10TSHRMAPK1HPGD | |
| Iodide SCHEMBL10907785 | 0.81 | ALDH1A1 (0.63) | ALDH1A1HSD17B10TSHRMAPK1HPGD | |
| SCHEMBL10907555 | 0.80 | GPR84 (0.78) | ALDH1A1HSD17B10TSHRMAPK1HPGD | |
| Buquiterine SCHEMBL29387250 | 0.79 | KDM4E (0.72) | ALDH1A1HSD17B10TSHRMAPK1HPGD | |
| SCHEMBL30798841 | 0.79 | ALDH1A1 (0.60) | ALDH1A1HSD17B10TSHRMAPK1HPGD | |
| Buquiterine SCHEMBL2109704 | 0.79 | KDM4E (0.72) | ALDH1A1HSD17B10TSHRMAPK1HPGD | |
| SCHEMBL7248968 | 0.78 | GPR84 (0.79) | ALDH1A1HSD17B10TSHRMAPK1HPGD |
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-0973773-A1 | PYRIMIDO-ISOQUINOLINE COMPOUNDS WITH ANTICONVULSIVE ACTION | SMITHKLINE BEECHAM PLC (GB) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998045293-A1 | PYRIMIDO-ISOQUINOLINE COMPOUNDS WITH ANTICONVULSIVE ACTION | SMITHKLINE BEECHAM PLC (GB) | 1998-10-15 | — | — | WO | disclosed |