Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7985647 | 0.83 | ALDH1A1 (0.50) | HDAC6NOTUMTSHRGAAALDH1A1 | |
| SCHEMBL13616 | 0.82 | KDR (0.44) | NOTUMTSHRALDH1A1NPC1POLB | |
| SCHEMBL9990260 | 0.78 | HSD17B1 (0.47) | HDAC6NOTUMGAAALDH1A1NPC1 | |
| SCHEMBL2203788 | 0.78 | KMT2A (0.52) | TSHRALDH1A1HTTNPC1POLB | |
| SCHEMBL7981944 | 0.77 | PTGIR (0.46) | TSHRALDH1A1HTTNPC1POLB | |
| SCHEMBL2781437 | 0.77 | ALDH1A1 (0.63) | TSHRALDH1A1HTTNPC1POLB | |
| Hydrochloric Acid SCHEMBL27517470 | 0.75 | ALDH1A1 (0.61) | TSHRALDH1A1HTTNPC1POLB | |
| Hydrochloric Acid SCHEMBL7846316 | 0.75 | GAA (0.39) | HDAC6NOTUMTSHRGAAALDH1A1 | |
| SCHEMBL26910078 | 0.74 | ALDH1A1 (0.41) | TSHRALDH1A1HTTNPC1POLB | |
| SCHEMBL7978868 | 0.73 | NPSR1 (0.40) | TSHRALDH1A1HTTNPC1POLB |
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 |
|---|---|---|---|---|---|---|---|
| US-6235730-B1 | ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT | JAPAN TOBACCO, INC. (JP) | 2001-05-22 | — | — | US | disclosed |
| CN-1252068-A | 3-piperidyl-4-oxoquinazoline derivatives and pharmaceutical compositions containing the same | JAPAN TOBACCO INC (JP) | 2000-05-03 | — | — | CN | disclosed |
| EP-0970954-A1 | 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVES AND MEDICINCAL COMPOSITIONS CONTAINING THE SAME | JAPAN TOBACCO INC. (JP) | 2000-01-12 | — | — | EP | disclosed |