Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 6/20 | 0.64 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PTPRB | P23467 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18928619 | 0.92 | ABCB1 (0.53) | ABCB1CA1CA2CA7PTPRB | |
| SCHEMBL15236993 | 0.92 | ABCB1 (0.53) | ABCB1CA1CA2CA7PTPRB | |
| SCHEMBL15433017 | 0.92 | ABCB1 (0.53) | ABCB1CA1CA2CA7PTPRB | |
| SCHEMBL22542592 | 0.89 | ABCB1 (0.49) | ABCB1CA1CA2CA7PTPRB | |
| SCHEMBL18055002 | 0.89 | ABCB1 (0.49) | ABCB1CA1CA2CA7PTPRB | |
| SCHEMBL24140416 | 0.87 | ABCB1 (0.67) | ABCB1CA1CA2CA7CYP1A2 | |
| SCHEMBL24140388 | 0.87 | ABCB1 (0.67) | ABCB1CA1CA2CA7CYP1A2 | |
| SCHEMBL28923528 | 0.87 | ABCB1 (0.67) | ABCB1CA1CA2CA7CYP1A2 | |
| SCHEMBL24140420 | 0.87 | ABCB1 (0.62) | ABCB1CA1CA2CA7CYP1A2 | |
| SCHEMBL25826890 | 0.87 | ABCB1 (0.62) | ABCB1CA1CA2CA7CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2409983-A1 | Tubulysin analogues | Leibniz-Institut für Pflanzenbiochemie (IPB) (DE) | 2012-01-25 | — | — | EP | disclosed |