Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | GBA1 | P04062 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | SMO | Q99835 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.42 |
| ▸ | STAT6 | P42226 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | ACP1 | P24666 | 2/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | AKT2 | P31751 | 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 | |
|---|---|---|---|---|
| SCHEMBL1623805 | 0.90 | MEN1 (0.46) | CYP1A2CYP3A4CYP2D6TSHRGBA1 | |
| SCHEMBL1623803 | 0.90 | MEN1 (0.46) | CYP1A2CYP3A4CYP2D6TSHRGBA1 | |
| Hydrochloric Acid SCHEMBL1623435 | 0.89 | MEN1 (0.46) | CYP1A2CYP3A4CYP2D6TSHRGBA1 | |
| Hydrochloric Acid SCHEMBL1623437 | 0.89 | MEN1 (0.46) | CYP1A2CYP3A4CYP2D6TSHRGBA1 | |
| SCHEMBL13080698 | 0.86 | MEN1 (0.46) | TSHRGBA1LMNAKDM4ENPSR1 | |
| SCHEMBL13080669 | 0.86 | ACP1 (0.57) | CYP1A2TSHRGBA1LMNATP53 | |
| SCHEMBL13080736 | 0.86 | ACP1 (0.57) | CYP1A2TSHRGBA1LMNATP53 | |
| SCHEMBL13080682 | 0.83 | ACP1 (0.46) | CYP1A2TSHRGBA1LMNATP53 | |
| SCHEMBL13080699 | 0.83 | GBA1 (0.47) | TSHRGBA1LMNATP53KDM4E | |
| SCHEMBL13080784 | 0.83 | GBA1 (0.47) | TSHRGBA1LMNATP53KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-8283354-B2 | Voltage gated sodium and calcium channel inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-09 | — | — | US | disclosed |