Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.38 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.37 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6169451 | 0.87 | PTGER4 (0.42) | L3MBTL1PTGER4PTGER2POLBMEN1 | |
| SCHEMBL6169204 | 0.86 | ACACB (0.43) | ALDH1A1HTTS1PR3SIGMAR1POLB | |
| SCHEMBL6168303 | 0.84 | PTGER4 (0.47) | ALDH1A1MCHR1PTGER4PTGER2POLB | |
| SCHEMBL6169640 | 0.80 | AR (0.42) | ALDH1A1TSHRCYP2D6CYP2C9MEN1 | |
| SCHEMBL6168750 | 0.79 | LMNA (0.46) | HPGDMEN1KMT2A | |
| SCHEMBL6168074 | 0.77 | RHEB (0.39) | PTGER4HPGDPTGER2SRD5A1POLB | |
| SCHEMBL6167129 | 0.76 | XDH (0.43) | — | |
| SCHEMBL6761908 | 0.74 | KMT2A (0.68) | ALDH1A1HPGDPOLBMEN1KMT2A | |
| SCHEMBL2722964 | 0.71 | MEN1 (0.49) | ALDH1A1L3MBTL1MEN1KMT2A | |
| SCHEMBL1684479 | 0.70 | MAPT (0.59) | ALDH1A1HTTTSHRL3MBTL1PTGER4 |
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 |