Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 5/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 5/20 | 0.47 |
| ▸ | HRH2 | P25021 | 4/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTR1D | P28221 | 1/20 | 0.30 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10836044 | 0.85 | CYP2D6 (0.35) | HRH1CYP2A6CYP2D6 | |
| SCHEMBL261717 | 0.80 | — | — | |
| SCHEMBL29941197 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL29243449 | 0.78 | TDP1 (0.33) | HRH1HRH4HRH2HRH3TDP1 | |
| Hydrochloric Acid SCHEMBL30630792 | 0.78 | TDP1 (0.33) | HRH1HRH4HRH2HRH3TDP1 | |
| SCHEMBL294405 | 0.78 | PDE3B (0.38) | HRH1CYP2D6 | |
| SCHEMBL30803975 | 0.76 | CYP2D6 (0.32) | HRH1CYP2D6 | |
| SCHEMBL5306179 | 0.76 | CYP2D6 (0.32) | HRH1CYP2D6 | |
| SCHEMBL293872 | 0.74 | HRH3 (0.36) | HRH3TDP1CYP2C9TSHRCYP2C19 | |
| SCHEMBL3195239 | 0.73 | HRH1 (0.39) | HRH1HRH4HRH2HRH3TDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112939714-B | Preparation method of chiral tetrahydroimidazo [1,5-a ] piperazine pharmaceutical intermediate | 上海李氏化学科技有限公司 | 2022-06-14 | — | — | CN | disclosed |
| CN-112939714-A | Preparation method of chiral tetrahydroimidazo [1,5-a ] piperazine pharmaceutical intermediate | 南京艾普特生物医药有限公司 | 2021-06-11 | — | — | CN | disclosed |
| WO-2009012375-A2 | SQUARATE KINASE INHIBITORS | WYETH (US) | 2009-01-22 | — | — | WO | disclosed |