Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | COMT | P21964 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 5/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL6168895 | 0.87 | CYP3A4 (0.47) | TSHRCYP1A2CYP2C9MEN1KMT2A | |
| SCHEMBL6765858 | 0.82 | MEN1 (0.46) | ARMEN1KMT2AHDAC1HDAC8 | |
| SCHEMBL6168750 | 0.81 | LMNA (0.46) | MEN1KMT2APRMT5WDR77 | |
| SCHEMBL6167006 | 0.80 | ALDH1A1 (0.42) | TSHRCYP2C9MEN1KMT2ACYP2D6 | |
| SCHEMBL13630836 | 0.80 | LTA4H (0.56) | MEN1KMT2ACYP2D6CYP3A4SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL1075307 | 0.79 | LTA4H (0.55) | MEN1KMT2ACYP2D6CYP3A4SMN1; SMN2 | |
| SCHEMBL6168074 | 0.79 | RHEB (0.39) | MEN1KMT2AACHE | |
| SCHEMBL6167129 | 0.77 | XDH (0.43) | — | |
| SCHEMBL5012362 | 0.74 | KMT2A (0.71) | MEN1KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL2722964 | 0.73 | MEN1 (0.49) | MEN1KMT2ASMN1; SMN2ALDH1A1HSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1530472-A1 | ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | Warner-Lambert Company LLC (US) | 2005-05-18 | — | — | EP | disclosed |
| WO-2004014379-A1 | ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | disclosed |