Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL14070458 | 0.81 | BRD4 (0.41) | BRD4CYP1A2HIF1ASLC6A2SLC6A4 | |
| SCHEMBL10586684 | 0.79 | CHRNB2 (0.42) | BRD4CYP1A2HIF1ATSHRALDH1A1 | |
| SCHEMBL13601932 | 0.78 | CYP1A2 (0.37) | BRD4CYP1A2HIF1ACYP2C19TSHR | |
| SCHEMBL10587633 | 0.73 | PDE4B (0.44) | BRD4ALDH1A1 | |
| SCHEMBL11620444 | 0.73 | CA12 (0.32) | — | |
| SCHEMBL754287 | 0.73 | CA12 (0.32) | — | |
| SCHEMBL5346726 | 0.73 | CYP1A2 (0.41) | BRD4CYP1A2HIF1ACYP2C19ALDH1A1 | |
| SCHEMBL2616302 | 0.71 | BRD4 (0.42) | BRD4CYP1A2HIF1ASLC6A2SLC6A4 | |
| SCHEMBL10394770 | 0.70 | CHRM2 (0.45) | ALDH1A1 | |
| SCHEMBL3310290 | 0.70 | CYP1A2 (0.39) | BRD4CYP1A2HIF1AALDH1A1 |
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-7166600-B2 | Thiocarbamate inhibitors of alpha-4 integrins | GENENTECH, INC. (US) | 2007-01-23 | — | — | US | disclosed |