Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.57 |
| ▸ | APP | P05067 | 1/20 | 0.53 |
| ▸ | NQO1 | P15559 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 3/20 | 0.46 |
| ▸ | DRD4 | P21917 | 3/20 | 0.46 |
| ▸ | DRD3 | P35462 | 3/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Phenetole SCHEMBL27622223 | 0.86 | LTA4H (0.68) | LTA4HNQO1RELADRD2DRD4 | |
| Phenetole SCHEMBL27504551 | 0.82 | LTA4H (0.63) | LTA4HNQO1RELADRD2DRD4 | |
| Phenetole SCHEMBL9062641 | 0.81 | LTA4H (0.74) | LTA4HNQO1RELAHPGDSMN1; SMN2 | |
| SCHEMBL760252 | 0.81 | NQO1 (0.74) | LTA4HAPPNQO1RELASMN1; SMN2 | |
| Phenetole SCHEMBL499918 | 0.81 | LTA4H (0.81) | LTA4HNQO1RELAHPGDSMN1; SMN2 | |
| Phenetole SCHEMBL10779391 | 0.81 | LTA4H (0.81) | LTA4HNQO1RELAHPGDSMN1; SMN2 | |
| Phenetole SCHEMBL18492 | 0.81 | — | — | |
| Phenetole SCHEMBL20917752 | 0.81 | LTA4H (0.62) | LTA4HNQO1RELADRD2DRD4 | |
| SCHEMBL92159 | 0.79 | NQO1 (0.78) | LTA4HNQO1RELADRD2DRD4 | |
| Phenetole SCHEMBL4014413 | 0.79 | LTA4H (0.77) | LTA4HNQO1RELAHPGDSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103458875-A | Compositions comprising inhibitors of sodium-glucose cotransporters 1 and 2 and using methods | LEXICON PHARMACEUTICALS INC | 2013-12-18 | — | — | CN | disclosed |