Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | POLB | P06746 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | APEX1 | P27695 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | PIM1 | P11309 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.44 |
| ▸ | TLK2 | Q86UE8 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CCND3 | P30281 | 1/20 | 0.41 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL371069 | 0.77 | TSHR (0.54) | MEN1KMT2ASMN1; SMN2TSHRCCND3 | |
| SCHEMBL181841 | 0.77 | ALDH1A1 (0.74) | ALDH1A1MEN1POLBKMT2ATHRB | |
| SCHEMBL7493975 | 0.74 | ALDH1A1 (0.49) | ALDH1A1MEN1POLBKMT2ATHRB | |
| SCHEMBL6877851 | 0.74 | KMT2A (0.49) | ALDH1A1MEN1POLBKMT2ATHRB | |
| SCHEMBL29225347 | 0.74 | TP53 (0.50) | ALDH1A1MEN1POLBKMT2ASMN1; SMN2 | |
| SCHEMBL9787184 | 0.73 | ALDH1A1 (0.47) | ALDH1A1MEN1POLBKMT2ATHRB | |
| SCHEMBL3953437 | 0.72 | ALDH1A1 (0.73) | ALDH1A1MEN1POLBKMT2ATHRB | |
| SCHEMBL27607827 | 0.71 | KMT2A (0.53) | ALDH1A1MEN1POLBKMT2ACES2 | |
| SCHEMBL9792287 | 0.71 | POLB (0.50) | ALDH1A1MEN1POLBKMT2ATHRB | |
| SCHEMBL10141202 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107814791-A | A kind of substituted-phenyl furanylcarbonyl pyrazole compound and its preparation method and application | 华南农业大学 | 2018-03-20 | — | — | CN | claimed |
| EP-0486807-A1 | Process for preparing 5-aroyl-2,3-dihydro-1H-pyrrolizine-1,1-dicarboxylates | SYNTEX (U.S.A.) INC. (US) | 1992-05-27 | — | — | EP | disclosed |
| US-5082951-A | Process for preparing 5-aroyl-2,3-dihydro-1H-pyrrolizine-1,1-dicarboxylates (I) and intermediates therefor | SYNTEX (U.S.A.) INC. (US) | 1992-01-21 | — | — | US | disclosed |