Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.35 |
| ▸ | CTRC | Q99895 | 1/20 | 0.34 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16573180 | 1.00 | CA1 (0.37) | CA1CA9CTRB1CYP19A1CTRC | |
| SCHEMBL18251049 | 1.00 | CA1 (0.37) | CA1CA9CTRB1CYP19A1CTRC | |
| SCHEMBL577132 | 0.81 | KMT2A (0.41) | CYP19A1CTRCDDB1CRBNALDH1A1 | |
| SCHEMBL14159890 | 0.76 | MAOB (0.39) | CA1CA9CTRB1DDB1CRBN | |
| SCHEMBL14159746 | 0.76 | MAOB (0.39) | CA1CA9CTRB1DDB1CRBN | |
| SCHEMBL14159784 | 0.76 | MAOB (0.39) | CA1CA9CTRB1DDB1CRBN | |
| SCHEMBL14159750 | 0.76 | MAOB (0.39) | CA1CA9CTRB1DDB1CRBN | |
| SCHEMBL18251058 | 0.74 | CA1 (0.47) | CA1CA9ALDH1A1TSHRKMT2A | |
| SCHEMBL14159677 | 0.74 | CA1 (0.47) | CA1CA9ALDH1A1TSHRKMT2A | |
| Alpha-Phenyl-Gamma-Butyrolactone SCHEMBL576473 | 0.70 | CYP19A1 (0.44) | CTRB1CYP19A1CTRCDDB1CRBN |
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 |
|---|---|---|---|---|---|---|---|
| EP-3106461-B1 | DERIVATIVES OF UK-2A | DOW AGROSCIENCES LLC (US) | 2020-05-06 | — | — | EP | disclosed |