Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | NMT2 | O60551 | 1/20 | 0.55 |
| ▸ | NMT1 | P30419 | 1/20 | 0.55 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | ALPL | P05186 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30747811 | 0.89 | TSHR (0.54) | TSHRNMT2NMT1NUDT1MAPT | |
| SCHEMBL11655288 | 0.86 | KDM4E (0.59) | NMT1NUDT1MAPTKDM4EL3MBTL1 | |
| SCHEMBL22492342 | 0.84 | PLA2G2A (0.54) | KDM4EL3MBTL1LMNA | |
| SCHEMBL31510551 | 0.83 | ALDH1A1 (0.66) | TSHRNUDT1MAPTKDM4EL3MBTL1 | |
| SCHEMBL20866846 | 0.83 | NUDT1 (0.52) | TSHRNUDT1MAPTKDM4EL3MBTL1 | |
| SCHEMBL7365268 | 0.83 | ALDH1A1 (0.66) | TSHRNUDT1MAPTKDM4EL3MBTL1 | |
| SCHEMBL2544566 | 0.82 | LMNA (0.68) | NMT1NUDT1MAPTKDM4ENPSR1 | |
| SCHEMBL30639591 | 0.82 | DHODH (0.55) | TSHRMAPTKDM4EL3MBTL1GAA | |
| SCHEMBL538115 | 0.81 | NMT1 (0.61) | TSHRNMT2NMT1MAPTKDM4E | |
| SCHEMBL30647622 | 0.81 | PTGS2 (0.53) | NMT2NMT1NUDT1MAPTKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023219456-A1 | QUINOLINE-BASED HISTONE DEACETYLASE INHIBITORY SUBSTANCES, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME AS ACTIVE INGREDIENT | 숙명여자대학교 산학협력단 | 2023-11-16 | — | — | WO | disclosed |