Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL20047538 | 0.79 | CYP1A2 (0.39) | GABRA1LMNACYP1A2CYP3A4HPGD | |
| SCHEMBL25523412 | 0.74 | AHR (0.35) | KDM4ERPS6KA3L3MBTL1 | |
| SCHEMBL21173381 | 0.73 | CYP1A2 (0.48) | GABRA1LMNACYP1A2CYP3A4HPGD | |
| SCHEMBL25520946 | 0.72 | GABRA1 (0.44) | GABRA1GABRB2KDM4E | |
| SCHEMBL25522217 | 0.72 | RPS6KA3 (0.35) | KDM4ERPS6KA3 | |
| SCHEMBL1186316 | 0.71 | HPGD (0.50) | GABRA1LMNACYP1A2CYP3A4HPGD | |
| SCHEMBL24632434 | 0.69 | GABRA1 (0.44) | GABRA1LMNACYP1A2CYP3A4HPGD | |
| SCHEMBL7573609 | 0.69 | ALDH1A1 (0.44) | LMNACYP1A2CYP3A4HPGDTSHR | |
| SCHEMBL16674959 | 0.68 | LMNA (0.42) | GABRA1LMNACYP1A2CYP3A4HPGD | |
| SCHEMBL27417063 | 0.68 | PARP1 (0.53) | CYP1A2CYP3A4HPGDTSHRKDM4E |
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-2023086428-A2 | NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF | ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) | 2023-05-19 | — | — | WO | disclosed |