Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MC4R | P32245 | 1/20 | 0.35 |
| ▸ | SCN4A | P35499 | 1/20 | 0.35 |
| ▸ | MC3R | P41968 | 1/20 | 0.35 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9906898 | 0.83 | ALDH1A1 (0.46) | ALDH1A1MAPTLMNACYP3A4MAPK1 | |
| SCHEMBL29952413 | 0.82 | MCL1 (0.35) | ALDH1A1MAPTLMNACYP3A4MAPK1 | |
| SCHEMBL29954294 | 0.81 | ALDH1A1 (0.33) | ALDH1A1MAPTLMNACYP3A4MAPK1 | |
| SCHEMBL29953519 | 0.79 | ALDH1A1 (0.44) | ALDH1A1MAPTLMNACYP3A4MAPK1 | |
| SCHEMBL14392899 | 0.78 | OPRM1 (0.31) | OPRM1OPRL1 | |
| SCHEMBL16313400 | 0.78 | OPRM1 (0.31) | OPRM1OPRL1 | |
| SCHEMBL20315009 | 0.78 | CHRNB2 (0.32) | — | |
| SCHEMBL23660563 | 0.77 | — | — | |
| SCHEMBL13675173 | 0.77 | TDP1 (0.44) | ALDH1A1MAPTLMNABLMTSHR | |
| SCHEMBL13793892 | 0.77 | ALDH1A1 (0.38) | ALDH1A1MAPTLMNACYP3A4MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |