Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.60 |
| ▸ | CA9 | Q16790 | 1/20 | 0.60 |
| ▸ | DRD2 | P14416 | 9/20 | 0.46 |
| ▸ | DRD4 | P21917 | 2/20 | 0.46 |
| ▸ | DRD1 | P21728 | 6/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 3/20 | 0.42 |
| ▸ | DRD5 | P21918 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | DHCR7 | Q9UBM7 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 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 | |
|---|---|---|---|---|
| SCHEMBL3670460 | 0.90 | CA2 (0.74) | CA2CA9DRD2DRD4DRD1 | |
| SCHEMBL3050133 | 0.83 | DHCR7 (0.55) | CA2CA9DRD2DRD4DRD1 | |
| SCHEMBL3054594 | 0.82 | CA2 (0.48) | CA2CA9DRD2DRD1DRD3 | |
| SCHEMBL3052491 | 0.78 | CA9 (0.60) | CA2CA9DRD2DRD1KDM4E | |
| SCHEMBL3061589 | 0.77 | KDM4E (0.63) | CA2CA9DRD2DRD4KDM4E | |
| SCHEMBL16147483 | 0.72 | KDM4E (0.43) | CA2CA9DRD2DRD4DRD1 | |
| SCHEMBL3058753 | 0.70 | DHCR7 (0.53) | CA2CA9DRD2DRD4DRD1 | |
| SCHEMBL14376713 | 0.69 | CA2 (0.46) | CA2CA9DRD2DRD1ALDH1A1 | |
| SCHEMBL18098775 | 0.68 | CA2 (0.70) | CA2CA9ALDH1A1DHCR7SIGMAR1 | |
| SCHEMBL3061751 | 0.68 | CHRNA7 (0.51) | CA2CA9DRD2SIGMAR1HTR1A |
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-2155192-A2 | TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS | Sterix Limited (GB) | 2010-02-24 | — | — | EP | disclosed |
| WO-2008117061-A2 | TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS | STERIX LIMITED (GB) | 2008-10-02 | — | — | WO | disclosed |