Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.35 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.34 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.31 |
| ▸ | KDM1A | O60341 | 2/20 | 0.31 |
| ▸ | ANPEP | P15144 | 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 | |
|---|---|---|---|---|
| SCHEMBL10045177 | 0.86 | CYP2C19 (0.50) | CYP2C19CYP1A2ALDH1A1TSHRCYP3A4 | |
| SCHEMBL10045169 | 0.86 | CYP2C19 (0.50) | CYP2C19CYP1A2ALDH1A1TSHRCYP3A4 | |
| SCHEMBL10045097 | 0.84 | ALDH1A1 (0.48) | CYP2C19CYP1A2ALDH1A1TSHRCYP3A4 | |
| SCHEMBL20922169 | 0.82 | CYP2C19 (0.59) | CYP2C19CYP1A2ALDH1A1TSHRCYP3A4 | |
| SCHEMBL13327198 | 0.81 | EPHX1 (0.39) | CYP2C19CYP1A2EPHX1ALDH1A1TSHR | |
| SCHEMBL10045184 | 0.80 | CYP2C19 (0.64) | CYP2C19CYP1A2ALDH1A1TSHRCYP3A4 | |
| SCHEMBL10045168 | 0.80 | CYP2C19 (0.64) | CYP2C19CYP1A2ALDH1A1TSHRCYP3A4 | |
| SCHEMBL7511396 | 0.78 | CYP2C19 (0.56) | CYP2C19CYP1A2EPHX1ALDH1A1TSHR | |
| SCHEMBL9971087 | 0.78 | CYP2C19 (0.56) | CYP2C19CYP1A2EPHX1ALDH1A1TSHR | |
| SCHEMBL10045135 | 0.77 | CYP2C19 (0.62) | CYP2C19CYP1A2ALDH1A1TSHRCYP3A4 |
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-7531676-B2 | Lipids | CELLTECH R & D LIMITED (GB) | 2009-05-12 | — | — | US | disclosed |
| US-7531676-B2 | Lipids | CELLTECH R & D LIMITED (GB) | 2009-05-12 | — | — | US | disclosed |