Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | FLT3 | P36888 | 1/20 | 0.34 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | PDPK1 | O15530 | 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 | |
|---|---|---|---|---|
| SCHEMBL31190713 | 0.85 | HTR2A (0.33) | HTR2ACHEK1FLT3PLK3PDPK1 | |
| SCHEMBL31190861 | 0.67 | HTR2A (0.38) | HTR2APDPK1 | |
| SCHEMBL31198964 | 0.67 | — | — | |
| SCHEMBL31185291 | 0.67 | PDPK1 (0.37) | CHEK1FLT3PLK3CYP1A2CYP3A4 | |
| Iodide SCHEMBL31198944 | 0.66 | — | — | |
| SCHEMBL11904474 | 0.65 | KDR (0.40) | HTR2ACHEK1FLT3CYP1A2CYP3A4 | |
| SCHEMBL3465338 | 0.64 | DAO (0.38) | CHEK1FLT3PLK3CYP1A2CYP3A4 | |
| SCHEMBL31198869 | 0.63 | ERBB2 (0.33) | — | |
| SCHEMBL15996035 | 0.63 | GAA (0.49) | CHEK1FLT3PLK3CYP1A2CYP3A4 | |
| SCHEMBL31198884 | 0.63 | CHEK1 (0.34) | CHEK1FLT3PLK3PDPK1 |
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-2023114472-A1 | HETEROCYCLIC COMPOUNDS AS 5HT2A BIASED AGONISTS | ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) | 2023-06-22 | — | — | WO | disclosed |