Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.77 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.77 |
| ▸ | TSHR | P16473 | 2/20 | 0.77 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.77 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.77 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.62 |
| ▸ | GAA | P10253 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.55 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL28149655 | 1.00 | CYP2D6 (0.77) | CYP2D6CYP2C19TSHRCYP1A2CYP2C9 | |
| Hydrogen Sulfide SCHEMBL10338701 | 1.00 | CYP2D6 (0.77) | CYP2D6CYP2C19TSHRCYP1A2CYP2C9 | |
| SCHEMBL27866 | 0.98 | CYP2D6 (0.80) | CYP2D6CYP2C19TSHRCYP1A2CYP2C9 | |
| Iodide SCHEMBL30583028 | 0.95 | CYP2D6 (0.77) | CYP2D6CYP2C19TSHRCYP1A2CYP2C9 | |
| SCHEMBL28383085 | 0.95 | CYP2D6 (0.77) | CYP2D6CYP2C19TSHRCYP1A2CYP2C9 | |
| Bromide SCHEMBL21847280 | 0.95 | CYP2D6 (0.77) | CYP2D6CYP2C19TSHRCYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL3219100 | 0.95 | CYP2D6 (0.77) | CYP2D6CYP2C19TSHRCYP1A2CYP2C9 | |
| Ammonia Solution, Strong SCHEMBL22534204 | 0.95 | CYP2D6 (0.77) | CYP2D6CYP2C19TSHRCYP1A2CYP2C9 | |
| Trimethylammonium SCHEMBL993437 | 0.89 | CYP2C19 (0.69) | CYP2D6CYP2C19TSHRCYP1A2CYP2C9 | |
| Phosphoric Acid SCHEMBL28155504 | 0.89 | TSHR (0.69) | CYP2D6CYP2C19TSHRCYP1A2CYP2C9 |
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-104817561-B | The Piperidine inhibitors of JAK3 | 奥斯拜客斯制药有限公司 | 2017-06-13 | — | — | CN | disclosed |