Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.33 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL29678829 | 1.00 | CYP2D6 (0.45) | CYP2D6KDM4EMAPTKMT2AATM | |
| Trifluoroacetic Acid SCHEMBL23779156 | 0.84 | KDM4E (0.58) | CYP2D6KDM4EMAPTKMT2AATM | |
| Trifluoroacetic Acid SCHEMBL3450626 | 0.84 | KDM4E (0.58) | CYP2D6KDM4EMAPTKMT2AATM | |
| Trifluoroacetic Acid SCHEMBL30478376 | 0.84 | KDM4E (0.58) | CYP2D6KDM4EMAPTKMT2AATM | |
| SCHEMBL1366389 | 0.83 | — | — | |
| Trifluoroacetic Acid SCHEMBL30385180 | 0.82 | SLC6A1 (0.45) | CYP2D6SLC6A2SLC6A4SLC6A3CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL28172134 | 0.81 | KDM4E (0.76) | CYP2D6KDM4EMAPTKMT2AATM | |
| Hydrochloric Acid SCHEMBL3228194 | 0.81 | — | — | |
| Ammonia Solution, Strong SCHEMBL28141684 | 0.81 | — | — | |
| Water SCHEMBL28310277 | 0.81 | — | — |
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-110520422-B | Novel pyridonecarboxylic acid derivative or salt thereof | 涌永制药株式会社 | 2023-09-05 | — | — | CN | disclosed |
| CN-115427406-A | 1,3, 4-oxadiazole derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same | 株式会社钟根堂 | 2022-12-02 | — | — | CN | disclosed |
| CN-110520422-A | Novel pyridone carboxylic acid derivatives or its salt | WAKUNAGA PHARMA CO LTD | 2019-11-29 | — | — | CN | disclosed |