Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 5/20 | 0.39 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29022190 | 0.97 | HDAC3 (0.42) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL9649900 | 0.89 | HDAC3 (0.55) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL264229 | 0.84 | — | — | |
| SCHEMBL11247262 | 0.80 | TSHR (0.60) | MEN1KMT2AALDH1A1 | |
| SCHEMBL11248102 | 0.80 | TSHR (0.60) | MEN1KMT2AALDH1A1 | |
| SCHEMBL8417880 | 0.78 | HSP90AA1 (0.64) | FAAHMEN1KMT2AHSP90AA1ALDH1A1 | |
| SCHEMBL8419884 | 0.78 | HSP90AA1 (0.64) | FAAHMEN1KMT2AHSP90AA1ALDH1A1 | |
| SCHEMBL8416840 | 0.78 | HSP90AA1 (0.64) | FAAHMEN1KMT2AHSP90AA1ALDH1A1 | |
| SCHEMBL8418217 | 0.78 | HSP90AA1 (0.64) | FAAHMEN1KMT2AHSP90AA1ALDH1A1 | |
| SCHEMBL8419777 | 0.78 | HSP90AA1 (0.64) | FAAHMEN1KMT2AHSP90AA1ALDH1A1 |
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-116283665-A | New method for synthesizing isocyanate | 常州大学 | 2023-06-23 | — | — | CN | disclosed |