Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | HTR7 | P34969 | 3/20 | 0.59 |
| ▸ | DRD4 | P21917 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28746194 | 0.84 | ALDH1A1 (0.68) | ALDH1A1KDM4EHTTHTR7TSHR | |
| SCHEMBL7484815 | 0.84 | SIGMAR1 (0.60) | ALDH1A1KDM4ETSHRMEN1KMT2A | |
| SCHEMBL7433040 | 0.83 | ALDH1A1 (0.67) | ALDH1A1KDM4EHTTTSHRMEN1 | |
| SCHEMBL230275 | 0.83 | CYP2A13 (0.57) | ALDH1A1KDM4EHTTTSHRMEN1 | |
| SCHEMBL3454127 | 0.83 | HDAC3 (0.56) | ALDH1A1KDM4EHTTKMT2ALMNA | |
| SCHEMBL21043973 | 0.83 | ALDH1A1 (0.55) | ALDH1A1KDM4EHTTMEN1KMT2A | |
| SCHEMBL30640558 | 0.83 | CYP2A13 (0.57) | ALDH1A1KDM4EHTTTSHRMEN1 | |
| SCHEMBL11361974 | 0.82 | ALDH1A1 (0.65) | ALDH1A1KDM4EHTTMEN1KMT2A | |
| SCHEMBL18600518 | 0.81 | ALDH1A1 (0.54) | ALDH1A1KDM4EHTTHTR7MEN1 | |
| Hydrochloric Acid SCHEMBL17338492 | 0.81 | HDAC3 (0.55) | ALDH1A1KDM4EHTTMEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1306526-A | Novel heterocyclically substituted amides with cysteine protease-inhibiting effect | BASF AG (DE) | 2001-08-01 | — | — | CN | disclosed |
| EP-1080083-A1 | NOVEL HETEROCYCLICALLY SUBSTITUTED AMIDES WITH CYSTEINE PROTEASE-INHIBITING EFFECT | BASF AKTIENGESELLSCHAFT (DE) | 2001-03-07 | — | — | EP | disclosed |
| WO-1999054320-A1 | NOVEL HETEROCYCLICALLY SUBSTITUTED AMIDES WITH CYSTEINE PROTEASE-INHIBITING EFFECT | BASF AKTIENGESELLSCHAFT (DE) | 1999-10-28 | — | — | WO | disclosed |