Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29880804 | 0.90 | CYP3A4 (0.48) | HPGDCASP1CYP3A4RECQLESR1 | |
| SCHEMBL1536231 | 0.90 | CYP3A4 (0.48) | HPGDCASP1CYP3A4RECQLESR1 | |
| SCHEMBL30379661 | 0.78 | CYP3A4 (0.48) | CASP1CYP3A4RECQLALDH1A1TP53 | |
| SCHEMBL1479247 | 0.78 | CYP3A4 (0.48) | CASP1CYP3A4RECQLALDH1A1TP53 | |
| SCHEMBL3893074 | 0.76 | ACHE (0.50) | HPGDACHEALDH1A1PARP1NPC1 | |
| SCHEMBL11735289 | 0.75 | ACHE (0.71) | HPGDACHECASP1CYP3A4RECQL | |
| SCHEMBL11789 | 0.75 | — | — | |
| SCHEMBL29350699 | 0.75 | — | — | |
| SCHEMBL13713755 | 0.75 | CYP3A4 (0.44) | CASP1CYP3A4RECQLALDH1A1NPC1 | |
| SCHEMBL23952138 | 0.74 | HPGD (0.47) | HPGDACHECASP1CYP3A4RECQL |
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-9902706-B2 | Process for making benzoxazines | CYTEC INDUSTRIES INC. (US) | 2018-02-27 | — | — | US | disclosed |