Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.39 |
| ▸ | TYMP | P19971 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8807640 | 0.81 | HSD17B10 (0.52) | PARP1TYMPHSD17B10GRIN2DGRIN3B | |
| SCHEMBL20853010 | 0.78 | TYMP (0.39) | PARP1TYMPHSD17B10GRIN2DGRIN3B | |
| SCHEMBL21230635 | 0.78 | PARP1 (0.37) | PARP1TYMPKDM4EALDH1A1HPGD | |
| SCHEMBL21230968 | 0.78 | PARP1 (0.37) | PARP1TYMPHSD17B10GRIN2DGRIN3B | |
| SCHEMBL17883940 | 0.78 | ALDH1A1 (0.49) | PARP1TYMPHSD17B10GRIN2DGRIN3B | |
| SCHEMBL26316796 | 0.77 | ALDH1A1 (0.44) | HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL23991764 | 0.76 | HCAR2 (0.39) | PARP1TYMPHSD17B10GRIN2DGRIN3B | |
| SCHEMBL16940088 | 0.75 | ALDH1A1 (0.38) | PARP1TYMPHSD17B10GRIN2DGRIN3B | |
| SCHEMBL14227433 | 0.75 | HCAR2 (0.41) | PARP1TYMPHSD17B10GRIN2DGRIN3B | |
| SCHEMBL20885947 | 0.73 | PARP1 (0.35) | PARP1TYMPHSD17B10GRIN2DGRIN3B |
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-3960735-B1 | QUINAZOLINE DERIVATIVES USED TO TREAT HIV | GILEAD SCIENCES INC (US) | 2023-09-13 | — | — | EP | disclosed |