Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.92 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | GFER | P55789 | 1/20 | 0.52 |
| ▸ | RXFP1 | Q9HBX9 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | ABCC1 | P33527 | 4/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6919069 | 0.96 | HTT (1.00) | HTTALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6920444 | 0.95 | HTT (0.97) | HTTALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7118898 | 0.95 | HTT (0.97) | HTTALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7128300 | 0.80 | HTT (0.73) | HTTALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7115705 | 0.79 | HTT (0.71) | HTTALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7119641 | 0.79 | HTT (0.71) | HTTALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6922057 | 0.72 | RXFP1 (0.64) | HTTALDH1A1RXFP1KDM4EHSD17B10 | |
| SCHEMBL6819044 | 0.71 | HTT (0.54) | HTTALDH1A1CYP2C19KDM4EHSD17B10 | |
| SCHEMBL7115674 | 0.70 | HTT (0.59) | HTTALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7115695 | 0.70 | RXFP1 (0.64) | HTTALDH1A1CYP1A2CYP2C9CYP2C19 |
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-2004065389-A1 | PYRROLOPYRIMIDINE DERIVATIVES USEFUL AS MODULATORS OF MULTIDRUG RESISTANCE | XENOVA LIMITED (GB) | 2004-08-05 | — | — | WO | disclosed |