Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.38 |
| ▸ | P4HTM | Q9NXG6 | 6/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1760248 | 0.81 | KDM4E (0.42) | KDM4EALDH1A1TSHRL3MBTL1MEN1 | |
| SCHEMBL6468190 | 0.80 | ESR1 (0.36) | ALDH1A1TSHR | |
| SCHEMBL15360279 | 0.78 | KDM4E (0.39) | KDM4EALDH1A1TSHRL3MBTL1MEN1 | |
| SCHEMBL7170956 | 0.75 | KDM4E (0.44) | KDM4EALDH1A1TSHRL3MBTL1MEN1 | |
| SCHEMBL17866987 | 0.74 | ESR1 (0.33) | TSHR | |
| SCHEMBL14827254 | 0.74 | P4HTM (0.51) | KDM4EALDH1A1TSHRL3MBTL1MEN1 | |
| SCHEMBL25754457 | 0.74 | HCAR3 (0.58) | ALDH1A1CYP1A2MAPTP4HTMHCAR3 | |
| Iodide SCHEMBL7459681 | 0.73 | KDM4E (0.54) | KDM4EALDH1A1TSHRL3MBTL1LMNA | |
| SCHEMBL29447044 | 0.73 | KDM4E (0.42) | KDM4EALDH1A1L3MBTL1LMNAALOX15 | |
| SCHEMBL990507 | 0.73 | KDM4E (0.42) | KDM4EALDH1A1L3MBTL1LMNAALOX15 |
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-2023235753-A2 | ALDH2 INHIBITORS AND METHODS OF USE THEREOF | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2023-12-07 | — | — | WO | disclosed |