Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOX | P28300 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 3/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | RELA | Q04206 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL27285394 | 0.80 | SCN9A (0.40) | HSD17B10SCN9AMAOBMAOAL3MBTL1 | |
| SCHEMBL30366062 | 0.80 | LOX (0.45) | LOXLOXL2HSD17B10SCN9AMAOB | |
| SCHEMBL16294333 | 0.80 | SCN9A (0.53) | SCN9AMAOBMAOAL3MBTL1RAB9A | |
| SCHEMBL23585274 | 0.79 | HSD17B10 (0.50) | HSD17B10SCN9AMAOBMAOAL3MBTL1 | |
| SCHEMBL7826032 | 0.79 | SCN9A (0.51) | HSD17B10SCN9AMAOBMAOAL3MBTL1 | |
| SCHEMBL28705572 | 0.79 | ALDH1A1 (0.42) | HSD17B10SCN9AMAOBMAOAL3MBTL1 | |
| SCHEMBL29131030 | 0.78 | LOX (0.49) | LOXLOXL2SMN1; SMN2CYP2E1CYP2C8 | |
| SCHEMBL9876887 | 0.76 | HSD17B10 (0.50) | LOXLOXL2HSD17B10SCN9AMAOB | |
| SCHEMBL19927726 | 0.76 | RAB9A (0.53) | HSD17B10SCN9AMAOBMAOARAB9A | |
| SCHEMBL19927769 | 0.76 | MAOA (0.50) | LOXL2HSD17B10SCN9AMAOBMAOA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0637300-B1 | ANTIPROLIFERATIVE QUINAZOLINES | AGOURON PHARMA (US) | 2001-09-05 | — | — | EP | disclosed |
| EP-0637300-A1 | ANTIPROLIFERATIVE QUINAZOLINES | AGOURON PHARMACEUTICALS, INC. (US) | 1995-02-08 | — | — | EP | disclosed |
| WO-1993020055-A1 | ANTIPROLIFERATIVE QUINAZOLINES | AGOURON PHARMACEUTICALS, INC. (US) | 1993-10-14 | — | — | WO | disclosed |