Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.70 |
| ▸ | TSHR | P16473 | 1/20 | 0.70 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | APP | P05067 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1920769 | 0.89 | CYP3A4 (0.86) | CYP3A4TSHRMAPK1HDAC6KMT2A | |
| SCHEMBL8352093 | 0.85 | CYP3A4 (0.79) | CYP3A4TSHRMAPK1HSD17B2HDAC6 | |
| SCHEMBL30026816 | 0.85 | CYP3A4 (0.86) | CYP3A4TSHRMAPK1HDAC6KMT2A | |
| SCHEMBL1389429 | 0.85 | CYP3A4 (0.86) | CYP3A4TSHRMAPK1HDAC6KMT2A | |
| SCHEMBL1921475 | 0.83 | CYP3A4 (0.76) | CYP3A4TSHRMAPK1HSD17B2HDAC6 | |
| SCHEMBL29678179 | 0.83 | CYP3A4 (1.00) | CYP3A4TSHRMAPK1TP53HDAC6 | |
| SCHEMBL219995 | 0.83 | CYP3A4 (1.00) | CYP3A4TSHRMAPK1TP53HDAC6 | |
| SCHEMBL13302358 | 0.83 | CYP3A4 (0.82) | CYP3A4TSHRMAPK1HDAC6KMT2A | |
| SCHEMBL17986638 | 0.81 | RAPGEF4 (0.53) | TSHRMAPK1KMT2AMEN1ALDH1A1 | |
| SCHEMBL11685898 | 0.80 | CYP3A4 (0.53) | CYP3A4TSHRKMT2AMEN1ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109734610-B | Meta-substituted phenol compound and preparation method and application thereof | 广东工业大学 | 2022-02-15 | — | — | CN | claimed |
| CN-109734610-B | Meta-substituted phenol compound and preparation method and application thereof | 广东工业大学 | 2022-02-15 | — | — | CN | disclosed |
| CN-109734610-A | A kind of m-substituted phenol compound and the preparation method and application thereof | 广东工业大学 | 2019-05-10 | — | — | CN | disclosed |
| CN-106478537-B | A kind of preparation method of [2- [(the chloro- benzoxazoles -2- base of 5-) (3- oxo butyl) amino] ethyl] t-butyl carbamate | 上海再启生物技术有限公司 | 2019-01-15 | — | — | CN | disclosed |