Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 8/20 | 0.54 |
| ▸ | HSD17B2 | P37059 | 8/20 | 0.54 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | CA7 | P43166 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.51 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.51 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 2/20 | 0.46 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | HPGDS | O60760 | 1/20 | 0.43 |
| ▸ | ERN1 | O75460 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2884545 | 0.87 | KDM4E (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28675075 | 0.85 | CA12 (0.56) | HSD17B1CA12CA1CA2CA7 | |
| SCHEMBL14084580 | 0.85 | EGFR (0.56) | EGFRSLC2A1NR4A2MEN1ALDH1A1 | |
| SCHEMBL25603748 | 0.83 | SLC6A3 (0.47) | CA12CA1CA2CA9EGFR | |
| SCHEMBL3200407 | 0.83 | GAA (0.51) | CA12CA1CA2CA9EGFR | |
| SCHEMBL31337006 | 0.82 | EGFR (0.65) | HSD17B1HSD17B2CA12CA1CA2 | |
| SCHEMBL6564981 | 0.82 | HSD17B1 (0.59) | HSD17B1HSD17B2CYP3A4CYP2C9EGFR | |
| SCHEMBL4700092 | 0.82 | EGFR (0.65) | HSD17B1HSD17B2CA12CA1CA2 | |
| SCHEMBL131661 | 0.81 | CA12 (0.69) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9150203 | 0.80 | RXRB (0.57) | CA12CA1CA2CA7CA9 |
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-6831106-B1 | Selective activity on cell proliferation and differentiation without displaying any hypercalcaemiant nature | GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) | 2004-12-14 | — | — | US | disclosed |