Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.50 |
| ▸ | CA7 | P43166 | 3/20 | 0.50 |
| ▸ | CA9 | Q16790 | 3/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.47 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.46 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.46 |
| ▸ | TUBB | P07437 | 1/20 | 0.46 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.46 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.46 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.46 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.46 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5250991 | 0.84 | CA1 (0.55) | NFE2L2TRPA1CA1CA2CA7 | |
| SCHEMBL5497383 | 0.81 | NFE2L2 (0.66) | NFE2L2TRPA1CA1CA2CA7 | |
| SCHEMBL5497385 | 0.81 | NFE2L2 (0.66) | NFE2L2TRPA1CA1CA2CA7 | |
| SCHEMBL2090428 | 0.78 | NFE2L2 (0.52) | NFE2L2TRPA1CA1CA2CA7 | |
| SCHEMBL3241394 | 0.78 | NFE2L2 (0.68) | NFE2L2TRPA1CA1CA2CA7 | |
| SCHEMBL5255372 | 0.78 | RELA (0.47) | CYP1A2ALDH1A1TDP1 | |
| SCHEMBL3301377 | 0.76 | NFE2L2 (0.72) | NFE2L2TRPA1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL421247 | 0.74 | XDH (0.49) | NFE2L2TRPA1CA1CA2CA7 | |
| 1,2-Dimethoxybenzene SCHEMBL27452731 | 0.72 | CA1 (0.93) | NFE2L2TRPA1CA1CA2CA7 | |
| SCHEMBL19453160 | 0.72 | TUBB4A (0.45) | NFE2L2TRPA1CYP1A1CYP1A2CYP1B1 |
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-5665774-A | TREATMENT OF AUTOIMMUNE DISEASES | VERTEX PHARMACEUTICALS INCORPORATED | 1997-09-09 | — | — | US | disclosed |