Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.32 |
| ▸ | CXCR4 | P61073 | 4/20 | 0.32 |
| ▸ | GBA1 | P04062 | 1/20 | 0.32 |
| ▸ | PLAT | P00750 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2803628 | 0.87 | OPRM1 (0.38) | CYP3A4CYP1A2CYP2C9CYP2C19USP2 | |
| SCHEMBL2803695 | 0.85 | OPRM1 (0.36) | CYP3A4CYP2D6CYP1A2USP2LMNA | |
| SCHEMBL2804689 | 0.78 | LMNA (0.33) | USP2LMNATSHR | |
| SCHEMBL2805183 | 0.75 | SIGMAR1 (0.44) | CYP1A2CYP2C19LMNASIGMAR1NPSR1 | |
| SCHEMBL17057495 | 0.74 | — | — | |
| SCHEMBL2803960 | 0.74 | KDR (0.37) | CYP3A4CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL2804238 | 0.71 | TRIM58 (0.36) | POLB | |
| SCHEMBL13273733 | 0.71 | MAPK1 (0.34) | USP2LMNATSHRMAPK1ALDH1A1 | |
| SCHEMBL2805033 | 0.71 | GRM5 (0.40) | ALDH1A1 | |
| SCHEMBL17043959 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8357694-B2 | Substituted 5,6-dihydro-6-phenylbenzo[F]isoquinolin-2-amine compounds | ARQULE, INC. (US) | 2013-01-22 | — | — | US | disclosed |
| US-8357694-B2 | Substituted 5,6-dihydro-6-phenylbenzo[F]isoquinolin-2-amine compounds | ARQULE, INC. (US) | 2013-01-22 | — | — | US | disclosed |