Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 11/20 | 0.47 |
| ▸ | CA12 | O43570 | 10/20 | 0.47 |
| ▸ | CA1 | P00915 | 10/20 | 0.47 |
| ▸ | CA9 | Q16790 | 8/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL7902314 | 1.00 | CA2 (0.47) | CA2CA12CA1CA9CYP2D6 | |
| SCHEMBL26500505 | 1.00 | CA2 (0.47) | CA2CA12CA1CA9CYP2D6 | |
| SCHEMBL7148368 | 1.00 | CA2 (0.47) | CA2CA12CA1CA9CYP2D6 | |
| SCHEMBL7150774 | 1.00 | CA2 (0.47) | CA2CA12CA1CA9CYP2D6 | |
| SCHEMBL8212776 | 1.00 | CA2 (0.47) | CA2CA12CA1CA9CYP2D6 | |
| SCHEMBL23350664 | 1.00 | CA2 (0.47) | CA2CA12CA1CA9CYP2D6 | |
| SCHEMBL7150597 | 1.00 | CA2 (0.47) | CA2CA12CA1CA9CYP2D6 | |
| SCHEMBL26500528 | 1.00 | CA2 (0.47) | CA2CA12CA1CA9CYP2D6 | |
| SCHEMBL7903233 | 0.91 | CA2 (0.45) | CA2CA12CA1CA9CYP2D6 | |
| SCHEMBL13494907 | 0.91 | CA2 (0.45) | CA2CA12CA1CA9CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-6030942-A | TO TREAT CANCER AND VIRAL AND BACTERIAL INFECTIONS | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2000-02-29 | — | — | US | disclosed |