Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.39 |
| ▸ | MTOR | P42345 | 2/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ATF4 | P18848 | 1/20 | 0.38 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.36 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.36 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.36 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.36 |
| ▸ | ATP1A2 | P50993 | 1/20 | 0.36 |
| ▸ | ATP1B3 | P54709 | 1/20 | 0.36 |
| ▸ | FXYD2 | P54710 | 1/20 | 0.36 |
| ▸ | ATP1A4 | Q13733 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21187136 | 0.73 | SMN1; SMN2 (0.40) | MEN1KMT2ATHRBEPHX2 | |
| SCHEMBL21187127 | 0.73 | THRB (0.38) | CYP1A2CYP3A4CYP2C19MCHR1THRB | |
| SCHEMBL21187193 | 0.73 | THRB (0.38) | CYP1A2CYP3A4CYP2C19MCHR1THRB | |
| SCHEMBL21187148 | 0.73 | MAOA (0.45) | CYP1A2CYP2C19KMT2AEPHX2 | |
| SCHEMBL21187123 | 0.73 | THRB (0.38) | CYP1A2CYP3A4CYP2C19MCHR1THRB | |
| SCHEMBL21187151 | 0.73 | EPHX2 (0.42) | MEN1KMT2AEPHX2 | |
| SCHEMBL21187213 | 0.73 | NPC1 (0.48) | CYP1A2CYP2C19MEN1KMT2AEPHX2 | |
| SCHEMBL21187130 | 0.73 | SMN1; SMN2 (0.39) | MEN1KMT2ATHRBEPHX2 | |
| SCHEMBL23079240 | 0.71 | HRH3 (0.50) | HRH3EPHX2 | |
| SCHEMBL6598625 | 0.68 | HRH3 (0.69) | HRH3CYP1A2CYP3A4CYP2C19BLM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019141095-A1 | AMIDINE AND GUANIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2019-07-25 | — | — | WO | disclosed |