Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.65 |
| ▸ | ABAT | P80404 | 1/20 | 0.65 |
| ▸ | XDH | P47989 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ERN1 | O75460 | 3/20 | 0.43 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.43 |
| ▸ | TTR | P02766 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1527066 | 0.82 | ERN1 (0.61) | ALDH5A1ABATXDHERN1GPR35 | |
| SCHEMBL531632 | 0.81 | ALDH5A1 (0.73) | ALDH5A1ABATXDHKDM4EALDH1A1 | |
| SCHEMBL29687930 | 0.81 | ALDH5A1 (0.73) | ALDH5A1ABATXDHKDM4EALDH1A1 | |
| SCHEMBL244093 | 0.81 | ALDH5A1 (1.00) | ALDH5A1ABATXDHKDM4EALDH1A1 | |
| Iodomethane SCHEMBL27504663 | 0.76 | ALDH5A1 (0.90) | ALDH5A1ABATXDHKDM4EALDH1A1 | |
| SCHEMBL28223814 | 0.74 | ERN1 (0.53) | ALDH5A1ABATXDHERN1GPR35 | |
| SCHEMBL10971487 | 0.73 | ALDH5A1 (0.65) | ALDH5A1ABATXDHKDM4EALDH1A1 | |
| SCHEMBL16838215 | 0.70 | ERN1 (0.61) | ALDH5A1ABATXDHERN1GPR35 | |
| SCHEMBL16838205 | 0.70 | XDH (0.71) | ALDH5A1ABATXDHALDH1A1HPGD | |
| SCHEMBL4497809 | 0.70 | ERN1 (0.70) | ALDH5A1ABATXDHERN1GPR35 |
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-1998008813-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PYRROLIDINE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-03-05 | — | — | WO | disclosed |