Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29104461 | 0.83 | ACHE (0.36) | CYP1A2GAALMNAMEN1KMT2A | |
| SCHEMBL1803708 | 0.80 | ALDH1A1 (0.36) | NR1H3NR1H2LMNACYP2A6MEN1 | |
| SCHEMBL7951323 | 0.77 | ACHE (0.33) | CYP1A2CYP2A6CYP3A4ALDH1A1TSHR | |
| SCHEMBL2942465 | 0.76 | ABL1 (0.47) | CYP1A2CYP2A6CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL3994708 | 0.76 | TP53 (0.38) | CYP1A2GAACYP2A6NPC1RAB9A | |
| SCHEMBL28034896 | 0.75 | CYP1A2 (0.35) | CYP1A2MEN1KMT2AHTTCYP2C19 | |
| SCHEMBL29104462 | 0.72 | HSD17B1 (0.44) | CYP1A2CYP2A6CYP2C19CYP3A4NPC1 | |
| SCHEMBL9118988 | 0.72 | PTGS2 (0.45) | CYP1A2PTGS2LMNARAB9AKDM4E | |
| SCHEMBL6877913 | 0.72 | PTGS2 (0.45) | CYP1A2NR1H3NR1H2PTGS2MEN1 | |
| SCHEMBL27634924 | 0.71 | TAAR1 (0.38) | CYP1A2 |
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-1978967-B1 | QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS | NOVARTIS AG (CH) | 2010-09-22 | — | — | EP | claimed |
| CN-105218540-A | The preparation method of a kind of C-3 position thiocarbamoyl imidazole also [1,2-a] pyridine compounds and their | UNIV QUFU NORMAL | 2016-01-06 | — | — | CN | disclosed |
| EP-1978967-B1 | QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS | NOVARTIS AG (CH) | 2010-09-22 | — | — | EP | disclosed |