Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.61 |
| ▸ | MEN1 | O00255 | 4/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.55 |
| ▸ | KDM5A | P29375 | 1/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28404686 | 0.88 | KMT2A (0.66) | KMT2AMEN1ALDH1A1SGMS2HTT | |
| SCHEMBL28862339 | 0.87 | PTGES (0.56) | KMT2AMEN1ALDH1A1HTTPKM | |
| SCHEMBL28410880 | 0.87 | KMT2A (0.65) | KMT2AMEN1ALDH1A1SGMS2KDM5A | |
| SCHEMBL28398695 | 0.85 | KMT2A (0.63) | KMT2AMEN1ALDH1A1SGMS2KDM5A | |
| SCHEMBL28406276 | 0.81 | KMT2A (0.67) | KMT2AMEN1ALDH1A1SGMS2HTT | |
| SCHEMBL28399006 | 0.79 | KMT2A (0.60) | KMT2AMEN1ALDH1A1SGMS2PKM | |
| SCHEMBL19472846 | 0.76 | HTT (0.47) | KMT2AHTTPKMEPHX2LMNA | |
| SCHEMBL28402624 | 0.76 | NPC1 (0.58) | KMT2AMEN1ALDH1A1HTTPKM | |
| SCHEMBL29067089 | 0.76 | EPHX2 (0.68) | KMT2AMEN1ALDH1A1HTTPKM | |
| SCHEMBL28235068 | 0.76 | SLC6A12 (0.54) | KMT2AMEN1ALDH1A1SGMS2EPHX2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108440389-B | 3,4, 5-trihydroxybenzoic acid derivative and preparation method and application thereof | 山东大学 | 2020-05-29 | — | — | CN | disclosed |