Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | CHAT | P28329 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19879746 | 0.82 | ALDH1A1 (0.45) | ALDH1A1MAPTRAPGEF4CYP1A2CYP2A6 | |
| SCHEMBL19140150 | 0.82 | ALDH1A1 (0.45) | ALDH1A1MAPTRAPGEF4CYP1A2CYP2A6 | |
| SCHEMBL9442667 | 0.82 | ALDH1A1 (0.45) | ALDH1A1MAPTRAPGEF4CYP1A2CYP2A6 | |
| SCHEMBL1532661 | 0.79 | ALDH1A1 (0.60) | ALDH1A1MAPTRAPGEF4CYP1A2CYP2A6 | |
| SCHEMBL29952946 | 0.79 | ALDH1A1 (0.50) | ALDH1A1MAPTMEN1KMT2ATDP1 | |
| SCHEMBL16955594 | 0.79 | ALDH1A1 (0.46) | ALDH1A1MAPTRAPGEF4CYP1A2CYP2A6 | |
| SCHEMBL3409591 | 0.79 | ALDH1A1 (0.50) | ALDH1A1MAPTMEN1KMT2ATDP1 | |
| SCHEMBL1547373 | 0.78 | L3MBTL1 (0.46) | ALDH1A1CYP1A2CYP2A6MEN1KMT2A | |
| SCHEMBL97512 | 0.77 | — | — | |
| SCHEMBL112040 | 0.76 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010131147-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | claimed |
| WO-2010131145-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | claimed |
| WO-2010131146-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | claimed |
| CN-104703980-A | Orexin receptor antagonists which are [ortho bi (hetero )aryl]-[2-(meta bi (hetero )aryl)-pyrrolidin-1-yl]-methanone derivatives | ACTELION PHARMACEUTICALS LTD | 2015-06-10 | — | — | CN | disclosed |
| WO-2010131147-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | disclosed |
| WO-2010131145-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | disclosed |
| WO-2010131146-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | disclosed |
| EP-0340709-A1 | (3-Chloro-methyl phenyl)ethyl amines, processes for their production and their use | BASF Aktiengesellschaft (DE) | 1989-11-08 | — | — | EP | disclosed |