Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 3/20 | 0.44 |
| ▸ | CNR2 | P34972 | 3/20 | 0.44 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 2/20 | 0.36 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.35 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.35 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.35 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6931875 | 0.89 | ABL1 (0.44) | CNR1CNR2ABL1ESR2HSD17B1 | |
| SCHEMBL8985132 | 0.85 | ESR1 (0.44) | CNR1CNR2DHFRKIF11ESR2 | |
| SCHEMBL14054473 | 0.80 | KIF11 (0.59) | CNR1CNR2DHFRKIF11SLC1A3 | |
| SCHEMBL99566 | 0.78 | ALDH1A1 (0.54) | DHFRESR2HSD17B1ESR1ALDH1A1 | |
| SCHEMBL8953943 | 0.77 | CYP3A4 (0.50) | DHFRKIF11ESR2HSD17B1ESR1 | |
| SCHEMBL8953996 | 0.77 | ALDH1A1 (0.52) | DHFRESR2HSD17B1ESR1ALDH1A1 | |
| Methane SCHEMBL28805939 | 0.77 | ALDH1A1 (0.52) | DHFRESR2HSD17B1ESR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7543824 | 0.77 | ALDH1A1 (0.52) | DHFRESR2HSD17B1ESR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL10585120 | 0.77 | ALDH1A1 (0.52) | DHFRESR2HSD17B1ESR1ALDH1A1 | |
| SCHEMBL8146040 | 0.76 | ALDH1A1 (0.56) | DHFRESR2HSD17B1ESR1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020047487-A1 | METHODS FOR TREATING CANCER WITH RORGAMMA INHIBITORS AND STATINS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2020-03-05 | — | — | WO | disclosed |