Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.77 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | CASP1 | P29466 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Quinoline SCHEMBL27467057 | 0.98 | ALDH1A1 (0.74) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL2535469 | 0.93 | ALDH1A1 (0.81) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL28025239 | 0.91 | ALDH1A1 (0.71) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL28162427 | 0.91 | ALDH1A1 (0.71) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL27960167 | 0.91 | ALDH1A1 (0.77) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Dodecane SCHEMBL28937946 | 0.90 | ALDH1A1 (0.68) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL4618171 | 0.90 | ALDH1A1 (0.68) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL19433739 | 0.90 | ALDH1A1 (0.68) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Decane SCHEMBL9763188 | 0.90 | ALDH1A1 (0.68) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL28202501 | 0.90 | ALDH1A1 (0.68) | ALDH1A1NPC1POLBRAB9ACYP3A4 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1907395-A1 | ABCA1 ELEVATING COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2008-04-09 | — | — | EP | claimed |
| WO-2007002867-A1 | ABCA1 ELEVATING COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2007-01-04 | — | — | WO | claimed |
| CN-111620788-B | Method for preparing (2S,3S) -3-amino-bicyclo [2.2.2] octane-2-formic ether | 广东莱佛士制药技术有限公司 | 2022-09-30 | — | — | CN | disclosed |
| CN-111454166-B | Process for the preparation of (2S,3S) -3-amino-bicyclo [2.2.2] octane-2-carboxylate | 广东莱佛士制药技术有限公司 | 2021-02-26 | — | — | CN | disclosed |
| CN-111620788-A | Method for preparing (2S,3S) -3-amino-bicyclo [2.2.2] octane-2-formic ether | 广东莱佛士制药技术有限公司 | 2020-09-04 | — | — | CN | disclosed |
| CN-111454166-A | Process for the preparation of (2S,3S) -3-amino-bicyclo [2.2.2] octane-2-carboxylate | 广东莱佛士制药技术有限公司 | 2020-07-28 | — | — | CN | disclosed |
| CN-100579999-C | Adhesive composition for mounting motor vehicle windows | DOW GLOBAL TECHNOLOGIES INC | 2010-01-13 | — | — | CN | disclosed |
| CN-100345923-C | Composition for polymer coating | 3M INNOVATIVE PROPERTIES CO (US) | 2007-10-31 | — | — | CN | disclosed |
| CN-1839167-A | Composition useful as an adhesive for installing vehicle windows | DOW GLOBAL TECHNOLOGIES INC (US) | 2006-09-27 | — | — | CN | disclosed |
| CN-1651532-A | Composition for polymer coating | 3M INNOVATIVE PROPERTIES CO (US) | 2005-08-10 | — | — | CN | disclosed |
| CN-1440433-A | Coating device and method for applying a polymer coating | 3M INNOVATIVE PROPERTIES CO (US) | 2003-09-03 | — | — | CN | disclosed |