Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY14 | Q15391 | 1/20 | 0.52 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.51 |
| ▸ | MRGPRX4 | Q96LA9 | 3/20 | 0.51 |
| ▸ | PLAU | P00749 | 1/20 | 0.51 |
| ▸ | PLAT | P00750 | 1/20 | 0.51 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.47 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.47 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.46 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7987788 | 0.92 | MAOB (0.50) | P2RY14SRD5A2MRGPRX4PLAUPLAT | |
| SCHEMBL7991450 | 0.80 | CASP3 (0.65) | SRD5A2MRGPRX4SMN1; SMN2L3MBTL1KDM4E | |
| SCHEMBL7995165 | 0.78 | CASP3 (0.60) | SRD5A2ALDH1A1HTTSMN1; SMN2L3MBTL1 | |
| SCHEMBL30720418 | 0.76 | IGFBP3 (0.52) | ALDH1A1L3MBTL1KDM4ECYP1A2HPGD | |
| SCHEMBL31357187 | 0.75 | CNR2 (0.70) | PLAUALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL5084291 | 0.75 | CNR2 (0.70) | PLAUALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL7991616 | 0.75 | CASP3 (0.64) | SRD5A2SMN1; SMN2L3MBTL1KDM4EHPGD | |
| SCHEMBL5119495 | 0.74 | SRD5A2 (0.59) | SRD5A2MRGPRX4NR4A2MAOBALDH1A1 | |
| Water SCHEMBL27550989 | 0.73 | CNR2 (0.68) | PLAUALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL402300 | 0.73 | SRD5A2 (0.87) | SRD5A2NR4A2MAOBALDH1A1HTT |
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-2001055117-A1 | NOVEL ISOQUINOLINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | LES LABORATOIRES SERVIER (FR) | 2001-08-02 | — | — | WO | disclosed |