Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 2/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.41 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29952806 | 0.84 | ESR2 (0.44) | CYP11B1CYP11B2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL15331238 | 0.84 | ESR2 (0.44) | CYP11B1CYP11B2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2556342 | 0.82 | GSTP1 (0.46) | CYP11B1CYP11B2GSTP1CYP1A2ALDH1A1 | |
| SCHEMBL474098 | 0.81 | BTK (0.41) | CYP1A2ALDH1A1CYP2C9HPGDCYP2C19 | |
| SCHEMBL2555372 | 0.77 | TYMP (0.41) | CYP11B1CYP11B2CYP1A2NOTUMALDH1A1 | |
| SCHEMBL15332054 | 0.77 | PIN1 (0.44) | NOTUMKDM4EMAPTNISCH | |
| SCHEMBL2562158 | 0.77 | NPBWR1 (0.38) | NOTUMALDH1A1KDM4ENPC1MAPT | |
| SCHEMBL2552851 | 0.77 | TYMP (0.41) | NOTUMALDH1A1KDM4ENPC1MAPT | |
| SCHEMBL15332414 | 0.76 | HSD17B1 (0.42) | CYP1A2CYP2C9CYP2C19MAPTESR1 | |
| SCHEMBL15330169 | 0.76 | METAP2 (0.41) | ALDH1A1 |
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-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |