Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.30 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.30 |
| ▸ | HTR3B | O95264 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | HTR1D | P28221 | 1/20 | 0.30 |
| ▸ | HTR1B | P28222 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | HTR1E | P28566 | 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 | |
|---|---|---|---|---|
| SCHEMBL31146892 | 0.79 | — | — | |
| SCHEMBL31146882 | 0.75 | DAO (0.35) | SLC6A4HTR3EHTR3BHTR1AHTR1D | |
| SCHEMBL31146887 | 0.75 | TAAR1 (0.32) | SLC6A2SLC6A4HTR3EHTR3BHTR1A | |
| SCHEMBL31146889 | 0.68 | NPC1 (0.40) | ALDH1A1SMN1; SMN2SLC6A4HPGD | |
| SCHEMBL1742802 | 0.66 | CYP3A4 (0.44) | CYP3A4CYP1A2MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL31709528 | 0.66 | CYP3A4 (0.44) | CYP3A4CYP1A2MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL28356670 | 0.66 | C5AR1 (0.38) | CYP1A2ALDH1A1SLC6A2SLC6A4CDK1 | |
| SCHEMBL4143129 | 0.65 | CYP3A4 (0.39) | CYP3A4CYP1A2MAPTALDH1A1POLB | |
| SCHEMBL31146894 | 0.65 | CYP1A2 (0.40) | CYP3A4CYP1A2MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL31146876 | 0.64 | GABRA1 (0.33) | CYP3A4ALDH1A1SMN1; SMN2POLBHPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4680606-A1 | ADENINE DERIVATIVES AS HSP90 INHIBITORS | AtmosR (FR) | 2026-01-21 | — | — | EP | disclosed |
| WO-2024194175-A1 | ADENINE DERIVATIVES AS HSP90 INHIBITORS | ATMOSR (FR) | 2024-09-26 | — | — | WO | disclosed |