Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.37 |
| ▸ | TAS1R2 | Q8TE23 | 3/20 | 0.37 |
| ▸ | CNR1 | P21554 | 2/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.32 |
| ▸ | CPS1 | P31327 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | RXRB | P28702 | 1/20 | 0.31 |
| ▸ | HTR1F | P30939 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15445728 | 0.96 | TAS1R3 (0.35) | TAS1R3TAS1R1TAS1R2CNR1CNR2 | |
| SCHEMBL15445704 | 0.89 | HPGD (0.35) | TAS1R3TAS1R1TAS1R2CNR1CNR2 | |
| SCHEMBL15445727 | 0.85 | HPGD (0.33) | TAS1R3TAS1R1TAS1R2CNR1CNR2 | |
| SCHEMBL15446024 | 0.85 | TAS1R3 (0.31) | TAS1R3TAS1R1TAS1R2RXFP1 | |
| SCHEMBL15445739 | 0.85 | — | — | |
| SCHEMBL12205092 | 0.84 | HPGD (0.46) | TAS1R3TAS1R1TAS1R2CNR1CNR2 | |
| SCHEMBL15445717 | 0.83 | BRAF (0.31) | — | |
| SCHEMBL15445709 | 0.82 | TAS1R3 (0.32) | TAS1R3TAS1R1TAS1R2CNR1CNR2 | |
| SCHEMBL15445730 | 0.80 | TAS1R3 (0.32) | TAS1R3TAS1R1TAS1R2CNR1CNR2 | |
| SCHEMBL15446047 | 0.80 | TAS1R3 (0.32) | TAS1R3TAS1R1TAS1R2CNR1CNR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180119010-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2018-05-03 | — | — | US | disclosed |
| US-20140028964-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2014-01-30 | — | — | US | disclosed |