Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | THRA | P10827 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8495597 | 0.88 | IKBKB (0.36) | IKBKBALDH1A1MAPK1HTTPOLB | |
| SCHEMBL8495594 | 0.88 | IKBKB (0.36) | IKBKBALDH1A1MAPK1HTTPOLB | |
| SCHEMBL8490478 | 0.85 | ALDH1A1 (0.37) | IKBKBALDH1A1MAPK1HTTPOLB | |
| SCHEMBL8684339 | 0.85 | ALDH1A1 (0.37) | IKBKBALDH1A1MAPK1HTTPOLB | |
| SCHEMBL8492582 | 0.83 | ALDH1A1 (0.35) | IKBKBALDH1A1MAPK1HTTPOLB | |
| SCHEMBL8492577 | 0.83 | ALDH1A1 (0.35) | IKBKBALDH1A1MAPK1HTTPOLB | |
| SCHEMBL8493586 | 0.79 | ALDH1A1 (0.37) | IKBKBALDH1A1MAPK1HTTPOLB | |
| SCHEMBL8493589 | 0.79 | ALDH1A1 (0.37) | IKBKBALDH1A1MAPK1HTTPOLB | |
| SCHEMBL8686478 | 0.79 | — | — | |
| SCHEMBL8887843 | 0.79 | — | — |
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-5859283-A | TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE | RHONE-POULENC AGRICULTURE LIMITED (GB) | 1999-01-12 | — | — | US | disclosed |