Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 4/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | GBA1 | P04062 | 3/20 | 0.46 |
| ▸ | SMO | Q99835 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.44 |
| ▸ | AKT2 | P31751 | 1/20 | 0.44 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1624037 | 0.89 | SMAD3 (0.62) | ABCB1MEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL1624034 | 0.89 | SMAD3 (0.62) | ABCB1MEN1KMT2ACYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL1622840 | 0.89 | SMAD3 (0.61) | ABCB1MEN1KMT2ACYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL1622839 | 0.89 | SMAD3 (0.61) | ABCB1MEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL4089554 | 0.88 | ABCB1 (0.65) | ABCB1MEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL1623864 | 0.88 | MEN1 (0.47) | ABCB1MEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL1623861 | 0.88 | MEN1 (0.47) | ABCB1MEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL13080736 | 0.87 | ACP1 (0.57) | MEN1KMT2ACYP1A2MAPTHSD17B10 | |
| SCHEMBL13080669 | 0.87 | ACP1 (0.57) | MEN1KMT2ACYP1A2MAPTHSD17B10 | |
| SCHEMBL4097324 | 0.82 | ABCB1 (0.70) | ABCB1MEN1KMT2ACYP1A2CYP3A4 |
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 |