Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | HTT | P42858 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | PTGIR | P43119 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7969122 | 0.88 | HTT (0.42) | ALDH1A1HTTNPC1RAB9AKDM4E | |
| SCHEMBL27511353 | 0.86 | NPC1 (0.42) | ALDH1A1HTTNPC1RAB9ALMNA | |
| SCHEMBL7985644 | 0.84 | TRPM8 (0.42) | ALDH1A1HTTNPC1RAB9ALMNA | |
| SCHEMBL7982503 | 0.84 | S100A4 (0.48) | ALDH1A1HTTNPC1RAB9ALMNA | |
| SCHEMBL7978872 | 0.83 | HTT (0.40) | ALDH1A1HTTNPC1RAB9ALMNA | |
| SCHEMBL19512684 | 0.83 | NPSR1 (0.47) | ALDH1A1HTTNPC1RAB9ALMNA | |
| SCHEMBL4613837 | 0.83 | MAPT (0.44) | HTTSMN1; SMN2NPSR1TP53KMT2A | |
| SCHEMBL7978950 | 0.82 | POLQ (0.47) | ALDH1A1HTTLMNASMN1; SMN2CYP1A2 | |
| SCHEMBL30285727 | 0.82 | NPC1 (0.40) | ALDH1A1HTTNPC1RAB9ALMNA | |
| SCHEMBL26186409 | 0.82 | NPC1 (0.40) | ALDH1A1HTTNPC1RAB9ALMNA |
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 |