Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 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 | |
|---|---|---|---|---|
| SCHEMBL29196400 | 0.74 | HRH3 (0.47) | SLC6A4ACHEHRH3SIGMAR1HDAC3 | |
| SCHEMBL29196410 | 0.71 | SLC18A2 (0.55) | SLC18A2SLC6A2SLC6A4HRH3TAAR1 | |
| SCHEMBL3047898 | 0.68 | CYP1A2 (0.62) | TSHRMTNR1A | |
| SCHEMBL7050745 | 0.67 | SLC6A2 (0.63) | SLC18A2SLC6A2SLC6A4MTNR1A | |
| SCHEMBL1581739 | 0.67 | SLC18A2 (0.49) | SLC18A2SLC6A2SLC6A4 | |
| SCHEMBL7329686 | 0.67 | SLC18A2 (0.52) | SLC18A2SLC6A2SLC6A4ACHETSHR | |
| SCHEMBL5830749 | 0.66 | BCHE (0.61) | SLC18A2SLC6A2SLC6A4SIGMAR1 | |
| SCHEMBL27550 | 0.65 | CYP1A2 (0.54) | MTNR1A | |
| SCHEMBL5830948 | 0.64 | GPR84 (0.59) | SIGMAR1MTNR1A | |
| SCHEMBL9800436 | 0.64 | CYP1A2 (0.58) | SLC6A2SLC6A4SIGMAR1MTNR1A |
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 |