Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.40 |
| ▸ | NAAA | Q02083 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29196396 | 0.74 | SLC18A2 (0.48) | HRH3SLC6A4SIGMAR1ACHEHDAC3 | |
| SCHEMBL29196393 | 0.72 | HRH3 (0.44) | HRH3SLC6A4CYP1A2KMT2ASIGMAR1 | |
| SCHEMBL8669331 | 0.70 | BCHE (0.51) | HRH3SLC6A4CYP1A2KMT2ASIGMAR1 | |
| SCHEMBL29560700 | 0.68 | CYP1A2 (0.65) | HRH3SLC6A4CYP1A2KMT2ASIGMAR1 | |
| SCHEMBL6240981 | 0.68 | CYP1A2 (0.65) | HRH3SLC6A4CYP1A2KMT2ASIGMAR1 | |
| SCHEMBL8669223 | 0.67 | BCHE (0.59) | HRH3SLC6A4CYP1A2SIGMAR1ACHE | |
| SCHEMBL6942749 | 0.67 | HRH3 (0.47) | HRH3SLC6A4CYP1A2KMT2ASIGMAR1 | |
| SCHEMBL9877336 | 0.67 | HCRTR1 (0.45) | HRH3SLC6A4CYP1A2ACHENAAA | |
| SCHEMBL1581891 | 0.67 | GRIN2D (0.50) | HRH3CYP1A2SIGMAR1ACHE | |
| SCHEMBL79723 | 0.65 | CYP1A2 (0.56) | HRH3SLC6A4CYP1A2SIGMAR1PKM |
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-117924217-A | 5-HTT/HDAC dual inhibitor and preparation method and application thereof | 杭州师范大学 | 2024-04-26 | — | — | CN | disclosed |