Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.40 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 3/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23949380 | 0.81 | LTB4R (0.41) | HPGDLTB4RLTB4R2MAPTNPSR1 | |
| SCHEMBL21533920 | 0.78 | CHRNB4 (0.41) | — | |
| SCHEMBL21101055 | 0.78 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDHSD17B10LMNA | |
| SCHEMBL24630678 | 0.78 | LTB4R (0.39) | HPGDLTB4RLTB4R2SMN1; SMN2NPSR1 | |
| SCHEMBL23949230 | 0.78 | LTB4R (0.41) | LTB4RLTB4R2POLB | |
| SCHEMBL13533398 | 0.77 | LMNA (0.56) | ALDH1A1KDM4EHPGDHSD17B10LMNA | |
| SCHEMBL13676827 | 0.77 | LMNA (0.56) | ALDH1A1KDM4EHPGDHSD17B10LMNA | |
| SCHEMBL12340 | 0.77 | LMNA (0.56) | ALDH1A1KDM4EHPGDHSD17B10LMNA | |
| SCHEMBL14015644 | 0.75 | CHRNB2 (0.37) | ALDH1A1KDM4EHPGDHSD17B10LMNA | |
| SCHEMBL20021544 | 0.75 | LTB4R (0.41) | HPGDLTB4RLTB4R2MAPTSMN1; SMN2 |
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-2021160132-A1 | HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF | 上海美悦生物科技发展有限公司 | 2021-08-19 | — | — | WO | disclosed |