Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 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 | |
|---|---|---|---|---|
| SCHEMBL2600473 | 0.73 | CA12 (0.44) | CA12CA2CA9ALDH1A1TSHR | |
| SCHEMBL30549445 | 0.70 | CA12 (0.36) | CA12CA2CA9MEN1KMT2A | |
| SCHEMBL16425203 | 0.69 | HTT (0.46) | CA12CA2CA9ALDH1A1SMN1; SMN2 | |
| SCHEMBL5145731 | 0.69 | CA12 (0.41) | CA12CA2CA9ALDH1A1TSHR | |
| SCHEMBL10159871 | 0.69 | CA12 (0.44) | CA12CA2CA9ALDH1A1TSHR | |
| SCHEMBL5716569 | 0.68 | CA12 (0.47) | CA12CA2CA9ALDH1A1TSHR | |
| SCHEMBL375008 | 0.67 | TSHR (0.48) | CA2CA9ALDH1A1TSHRHSD17B10 | |
| SCHEMBL28406208 | 0.67 | ALDH1A1 (0.39) | CA12CA2CA9ALDH1A1TSHR | |
| SCHEMBL382929 | 0.67 | TSHR (0.39) | TSHRTDP1 | |
| SCHEMBL11044440 | 0.67 | CA12 (0.50) | CA12CA2CA9ALDH1A1TSHR |
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-8163944-B2 | Allylic oxidations catalyzed by dirhodium catalysts under aqueous conditions | UNIVERSITY OF MARYLAND COLLEGE PARK (US) | 2012-04-24 | — | — | US | disclosed |