Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 13/20 | 0.52 |
| ▸ | CA1 | P00915 | 13/20 | 0.52 |
| ▸ | CA2 | P00918 | 13/20 | 0.52 |
| ▸ | CA9 | Q16790 | 13/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 10/20 | 0.45 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.45 |
| ▸ | FYN | P06241 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP12 | P39900 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PRKCA | P17252 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11507523 | 0.94 | CA12 (0.50) | CA12CA1CA2CA9CYP2D6 | |
| SCHEMBL11509402 | 0.91 | CA12 (0.54) | CA12CA1CA2CA9CYP2D6 | |
| SCHEMBL11507787 | 0.90 | CA12 (0.51) | CA12CA1CA2CA9CYP2D6 | |
| SCHEMBL11507566 | 0.90 | CA12 (0.51) | CA12CA1CA2CA9CYP2D6 | |
| SCHEMBL11516890 | 0.80 | LMNA (0.44) | CA12CA1CA2CA9CYP2D6 | |
| SCHEMBL11516889 | 0.80 | LMNA (0.44) | CA12CA1CA2CA9CYP2D6 | |
| SCHEMBL11507781 | 0.79 | ADRA2A (0.43) | CA12CA1CA2CA9CA14 | |
| SCHEMBL13480225 | 0.78 | CA12 (0.67) | CA12CA1CA2CA9CYP2D6 | |
| SCHEMBL7151935 | 0.78 | CA12 (0.67) | CA12CA1CA2CA9CYP2D6 | |
| SCHEMBL7151688 | 0.78 | CA12 (0.67) | CA12CA1CA2CA9CYP2D6 |
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-4180655-A | ANTITUMOR AND ANTILEUKEMIA AGENTS | Suami, Tetsuo (JP) | 1979-12-25 | — | — | US | disclosed |
| US-4086415-A | ANTILEUKEMIA, ANTITUMOR | Suami, Tetsuo (JA) | 1978-04-25 | — | — | US | disclosed |