Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4446964 | 0.85 | SMN1; SMN2 (0.39) | GAATDP1L3MBTL1SMN1; SMN2MAPT | |
| SCHEMBL1127232 | 0.85 | — | — | |
| Trifluoroacetic Acid SCHEMBL28124104 | 0.83 | TSHR (0.43) | L3MBTL1LMNADPP4DPP8CYP2C9 | |
| Hydrochloric Acid SCHEMBL3991321 | 0.83 | SMN1; SMN2 (0.40) | GAATDP1L3MBTL1SMN1; SMN2MAPT | |
| Hydrochloric Acid SCHEMBL28315020 | 0.83 | SMN1; SMN2 (0.40) | GAATDP1L3MBTL1SMN1; SMN2MAPT | |
| Trifluoroacetic Acid SCHEMBL28336846 | 0.81 | KDM4E (0.42) | GAATDP1L3MBTL1SMN1; SMN2MAPT | |
| Trifluoroacetic Acid SCHEMBL7430674 | 0.81 | KDM4E (0.42) | GAATDP1L3MBTL1SMN1; SMN2MAPT | |
| Cyclohexane Carboxamide SCHEMBL6831864 | 0.79 | CES2 (0.42) | GAATDP1L3MBTL1SMN1; SMN2MAPT | |
| Trifluoroacetic Acid SCHEMBL3154223 | 0.78 | GAA (0.35) | GAATDP1L3MBTL1SMN1; SMN2MAPT | |
| SCHEMBL16612025 | 0.77 | MAPT (0.42) | GAASMN1; SMN2MAPTALDH1A1KDM4E |
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-109563043-B | Substituted pyridines as inhibitors of DNMT1 | 葛兰素史密斯克莱知识产权发展有限公司 | 2022-05-31 | — | — | CN | disclosed |
| CN-107108468-A | Inhibitors of lysine porphyromonas gingivalis protease | 库特克希米公司 | 2017-08-29 | — | — | CN | disclosed |
| WO-2010128324-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | ASTRAZENECA AB (SE) | 2010-11-11 | — | — | WO | disclosed |