Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 5/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | CDK4 | P11802 | 2/20 | 0.36 |
| ▸ | CCND1 | P24385 | 2/20 | 0.36 |
| ▸ | TFEB | P19484 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 2/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1360804 | 0.82 | ALDH1A1 (0.40) | NFE2L2TRPA1TFEBKDM4EALDH1A1 | |
| SCHEMBL30415589 | 0.82 | ALDH1A1 (0.40) | NFE2L2TRPA1TFEBKDM4EALDH1A1 | |
| SCHEMBL13696315 | 0.79 | NFE2L2 (0.56) | NFE2L2TRPA1KDM4ECYP1A1CYP1A2 | |
| SCHEMBL5510461 | 0.79 | NFE2L2 (0.60) | NFE2L2TRPA1TFEBKDM4EALDH1A1 | |
| SCHEMBL5510457 | 0.79 | NFE2L2 (0.60) | NFE2L2TRPA1TFEBKDM4EALDH1A1 | |
| SCHEMBL13696325 | 0.75 | NFE2L2 (0.51) | NFE2L2TRPA1KDM4ECYP1A1CYP1A2 | |
| SCHEMBL1200637 | 0.75 | ALDH1A1 (0.55) | KDM4EALDH1A1CYP1A2MEN1KMT2A | |
| SCHEMBL690962 | 0.74 | HTT (0.61) | NFE2L2TFEBKDM4ECYP1A1CYP1A2 | |
| SCHEMBL23838467 | 0.73 | ALDH1A1 (0.39) | NFE2L2TRPA1CDK4CCND1ALDH1A1 | |
| SCHEMBL6703730 | 0.72 | CA1 (0.45) | ALDH1A1MEN1KMT2APTGS1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011035355-A1 | NOVEL ANTIMALARIAL 3-AZABICYCLO[3.2.2]NONANE DERIVATIVES | UNIVERSITY OF GRAZ (AT) | 2011-03-31 | — | — | WO | disclosed |