Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | REN | P00797 | 1/20 | 0.35 |
| ▸ | ACE | P12821 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | F2R | P25116 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.33 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | METAP1 | P53582 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16439980 | 0.98 | ALDH1A1 (0.36) | ALDH1A1L3MBTL1SLC6A4RENACE | |
| SCHEMBL3547554 | 0.92 | EPHX1 (0.43) | ALDH1A1L3MBTL1EPHX1CYP3A4HPGD | |
| SCHEMBL3537250 | 0.90 | EPHX1 (0.46) | ALDH1A1EPHX1MAPTCYP3A4HPGD | |
| SCHEMBL16439934 | 0.90 | EPHX1 (0.42) | ALDH1A1L3MBTL1EPHX1CYP3A4HPGD | |
| SCHEMBL16439912 | 0.90 | EPHX1 (0.39) | ALDH1A1RENACEEPHX1CYP3A4 | |
| SCHEMBL16439885 | 0.88 | EPHX1 (0.45) | ALDH1A1EPHX1MAPTCYP3A4HPGD | |
| SCHEMBL16439964 | 0.88 | EPHX1 (0.45) | ALDH1A1EPHX1MAPTCYP3A4HPGD | |
| SCHEMBL16439927 | 0.88 | EPHX1 (0.45) | ALDH1A1EPHX1MAPTCYP3A4HPGD | |
| SCHEMBL16439981 | 0.79 | CA2 (0.46) | L3MBTL1SLC6A4EPHX1RAB9AMETAP1 | |
| SCHEMBL29082995 | 0.75 | GAA (0.43) | ALDH1A1L3MBTL1MAPTTDP1CYP3A4 |
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 |