Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 14/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 11/20 | 0.52 |
| ▸ | HPGD | P15428 | 10/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.52 |
| ▸ | TSHR | P16473 | 6/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | TOP2A | P11388 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | RAD52 | P43351 | 1/20 | 0.46 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.46 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.45 |
| ▸ | MPO | P05164 | 1/20 | 0.45 |
| ▸ | CASR | P41180 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6308959 | 0.92 | ABCC1 (0.47) | ALDH1A1KDM4EHSD17B10HPGDCYP3A4 | |
| SCHEMBL6314310 | 0.88 | ALDH1A1 (0.50) | ALDH1A1KDM4EHSD17B10HPGDCYP3A4 | |
| SCHEMBL6309074 | 0.87 | MEN1 (0.48) | ALDH1A1KDM4EHSD17B10HPGDCYP3A4 | |
| SCHEMBL7550755 | 0.83 | CASR (0.64) | ALDH1A1TSHRMAPTTOP2ARAB9A | |
| SCHEMBL6307712 | 0.82 | ALDH1A1 (0.44) | ALDH1A1KDM4EHSD17B10HPGDTSHR | |
| SCHEMBL6307839 | 0.81 | CASR (0.46) | ALDH1A1TSHRMAPTRAB9ANPC1 | |
| SCHEMBL6309370 | 0.81 | ABCC1 (0.50) | ALDH1A1KDM4EHSD17B10HPGDCYP3A4 | |
| SCHEMBL6306711 | 0.80 | ALDH1A1 (0.51) | ALDH1A1MAPTRAB9ANPC1ABCC1 | |
| SCHEMBL6306022 | 0.80 | EGFR (0.58) | ALDH1A1KDM4ETSHRMAPTPOLB | |
| SCHEMBL6309405 | 0.78 | MEN1 (0.60) | ALDH1A1KDM4EHSD17B10HPGDCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6890930-B1 | Quinazolinones | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2005-05-10 | — | — | US | disclosed |