Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23249843 | 1.00 | CYP3A4 (0.41) | CYP3A4FAAHCA1CA2LMNA | |
| SCHEMBL23249855 | 0.83 | PARP10 (0.43) | CYP3A4PARP10PARP11CYP17A1CYP11B1 | |
| SCHEMBL29890214 | 0.83 | PARP10 (0.43) | CYP3A4PARP10PARP11CYP17A1CYP11B1 | |
| SCHEMBL23263315 | 0.80 | CYP11B2 (0.40) | CYP3A4CA1CA2PARP10PARP11 | |
| SCHEMBL23263314 | 0.79 | DYRK1A (0.34) | PARP10PARP11PTPN5DYRK1A | |
| SCHEMBL29890460 | 0.76 | CYP11B2 (0.43) | CYP3A4LMNAPARP10PARP11CYP17A1 | |
| SCHEMBL23249822 | 0.76 | CYP11B2 (0.43) | CYP3A4LMNAPARP10PARP11CYP17A1 | |
| SCHEMBL23263139 | 0.73 | HDAC4 (0.53) | CYP3A4PARP10PARP11CYP17A1CYP11B1 | |
| SCHEMBL23249826 | 0.72 | RNASEH1 (0.42) | CYP3A4CA1CA2LMNAHPGD | |
| SCHEMBL29891580 | 0.72 | RNASEH1 (0.42) | CYP3A4CA1CA2LMNAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-4045025-A1 | TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS | Ambys Medicines, Inc. (US) | 2022-08-24 | — | — | EP | disclosed |