Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.69 |
| ▸ | MAOA | P21397 | 3/20 | 0.53 |
| ▸ | MAOB | P27338 | 3/20 | 0.53 |
| ▸ | P4HB | P07237 | 4/20 | 0.51 |
| ▸ | FBP1 | P09467 | 3/20 | 0.48 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.43 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.43 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.43 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.43 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.43 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29463498 | 0.89 | FBP1 (0.56) | ALDH1A1MAOAMAOBP4HBFBP1 | |
| SCHEMBL67236 | 0.89 | FBP1 (0.56) | ALDH1A1MAOAMAOBP4HBFBP1 | |
| Acetonitrile SCHEMBL28192652 | 0.84 | ALDH1A1 (0.77) | ALDH1A1MAOAMAOBHSD17B3HSD11B1 | |
| Cyclopropane SCHEMBL29130088 | 0.84 | FBP1 (0.51) | ALDH1A1MAOAMAOBP4HBFBP1 | |
| SCHEMBL17231887 | 0.83 | ALDH1A1 (1.00) | ALDH1A1MAOAMAOBHSD17B3HSD11B1 | |
| SCHEMBL29391648 | 0.83 | — | — | |
| SCHEMBL4290 | 0.83 | — | — | |
| SCHEMBL18002842 | 0.82 | FBP1 (0.58) | MAOAMAOBP4HBFBP1GRIN2D | |
| Bromide SCHEMBL5484440 | 0.81 | ALDH1A1 (0.95) | ALDH1A1MAOAMAOBHSD17B3HSD11B1 | |
| Ethylene Glycol SCHEMBL28844357 | 0.81 | FBP1 (0.53) | MAOAMAOBP4HBFBP1GRIN2D |
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 |