Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3004854 | 1.00 | ALDH1A1 (0.43) | ALDH1A1MAPTL3MBTL1CA1CA2 | |
| SCHEMBL3042387 | 0.84 | MTNR1A (0.40) | ALDH1A1MAPTKDM4EHPGDPOLB | |
| SCHEMBL27739880 | 0.82 | LMNA (0.39) | ALDH1A1MAPTL3MBTL1HPGDMTNR1A | |
| SCHEMBL19158834 | 0.82 | POLB (0.47) | ALDH1A1L3MBTL1HPGDSMN1; SMN2POLB | |
| SCHEMBL9036022 | 0.77 | EPHX2 (0.40) | ALDH1A1MAPTHPGDMTNR1AMTNR1B | |
| SCHEMBL8564051 | 0.77 | KCNH2 (0.47) | ALDH1A1MAPTL3MBTL1CA1CA2 | |
| SCHEMBL550205 | 0.77 | KCNH2 (0.47) | ALDH1A1MAPTL3MBTL1CA1CA2 | |
| Hydrochloric Acid SCHEMBL550146 | 0.75 | KCNH2 (0.46) | ALDH1A1MAPTL3MBTL1CA1CA2 | |
| SCHEMBL5561358 | 0.74 | CYP1A2 (0.49) | ALDH1A1MAPTL3MBTL1BRD4POLB | |
| SCHEMBL9407269 | 0.74 | HPGD (0.52) | ALDH1A1MAPTL3MBTL1BRD4KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0702004-A2 | 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives | CIBA-GEIGY AG (CH) | 1996-03-20 | — | — | EP | disclosed |