Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7663064 | 0.85 | MTNR1A (0.37) | ALDH1A1GAAHPGDLMNACYP1A2 | |
| SCHEMBL6962144 | 0.83 | PTGES (0.45) | ALDH1A1GAATSHRBCHEPOLB | |
| SCHEMBL27415293 | 0.81 | POLB (0.40) | ALDH1A1CYP2C9CYP2C19TSHRPOLB | |
| SCHEMBL7667932 | 0.80 | OPRM1 (0.44) | ALDH1A1TSHRHDAC1HDAC6KDM4E | |
| SCHEMBL1269406 | 0.79 | NAAA (0.51) | ALDH1A1GAAHPGDTSHR | |
| SCHEMBL7892825 | 0.78 | NAAA (0.54) | ALDH1A1GAAHPGD | |
| SCHEMBL7661404 | 0.78 | MTNR1A (0.38) | ALDH1A1GAAHPGDCYP2C9CYP2C19 | |
| SCHEMBL7668002 | 0.77 | NAMPT (0.37) | ALDH1A1GAALMNACYP2C9CYP2C19 | |
| SCHEMBL7667485 | 0.77 | ALDH1A1 (0.50) | ALDH1A1GAAHPGDLMNACYP1A2 | |
| SCHEMBL7659195 | 0.75 | HDAC1 (0.39) | ALDH1A1HPGDLMNAMAPK1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-1097417-A | New heterogeneous ring compound | FUJISAWA PHARMACEUTICAL CO (JP) | 1995-01-18 | — | — | CN | disclosed |