Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 2/20 | 0.39 |
| ▸ | CTSS | P25774 | 2/20 | 0.39 |
| ▸ | CTSK | P43235 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | HTR1B | P28222 | 5/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.34 |
| ▸ | OGG1 | O15527 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6604458 | 0.80 | KDM4E (0.56) | CTSLCTSSCTSKKDM4EALDH1A1 | |
| SCHEMBL28769600 | 0.79 | ERN1 (0.42) | ERN1KDM4EALDH1A1HPGDDAO | |
| Water SCHEMBL9707280 | 0.78 | KDM4E (0.54) | CTSLCTSSCTSKKDM4EALDH1A1 | |
| SCHEMBL7415972 | 0.78 | DAO (0.39) | KDM4EALDH1A1HPGDTDP1DAO | |
| SCHEMBL7126899 | 0.76 | HTR1B (0.65) | KDM4EHTR1BKCNA3HTR1D | |
| SCHEMBL29576746 | 0.75 | MAOB (0.53) | ALDH1A1TDP1MEN1KMT2A | |
| SCHEMBL17919856 | 0.75 | HTR1B (0.51) | HTR1BKCNA3HTR1D | |
| SCHEMBL17913768 | 0.75 | MAOB (0.53) | ALDH1A1TDP1MEN1KMT2A | |
| SCHEMBL24801284 | 0.73 | CYP2A6 (0.43) | ERN1KDM4EALDH1A1HPGDTDP1 | |
| SCHEMBL6312903 | 0.73 | KDM4E (0.51) | KDM4EALDH1A1HPGDCYP2A6MEN1 |
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-1993013066-A1 | CYCLIC AMIDES OF 3-AMINO-2-HYDROXY-CARBOXYLIC ACIDS AS HIV-PROTEASE INHIBITORS | SYNTEX (U.S.A.) INC. (US) | 1993-07-08 | — | — | WO | disclosed |