Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
| ▸ | RARB | P10826 | 9/20 | 0.37 |
| ▸ | CCR5 | P51681 | 4/20 | 0.37 |
| ▸ | RARA | P10276 | 2/20 | 0.37 |
| ▸ | RARG | P13631 | 1/20 | 0.37 |
| ▸ | MPL | P40238 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7972312 | 0.91 | CCR5 (0.38) | MCL1CCR5ALDH1A1PTGDR2 | |
| SCHEMBL7971878 | 0.88 | MCL1 (0.38) | MCL1CCR5MPLMAPTKMT2A | |
| SCHEMBL7222347 | 0.85 | ACACB (0.35) | MCL1MEN1ALDH1A1KMT2APTGDR2 | |
| SCHEMBL7929484 | 0.84 | CCR5 (0.32) | CCR5 | |
| SCHEMBL7929501 | 0.84 | MCL1 (0.39) | MCL1CCR5MAPTPTGDR2AKR1C2 | |
| SCHEMBL7972262 | 0.83 | RARB (0.45) | RARBRARAMEN1ALDH1A1KMT2A | |
| SCHEMBL7252964 | 0.83 | RARB (0.40) | RARBRARAMPLMAPTKMT2A | |
| SCHEMBL7931697 | 0.83 | RXRA (0.41) | MCL1CCR5ALDH1A1NPC1RAB9A | |
| SCHEMBL7972072 | 0.83 | KIF11 (0.37) | CCR5PTGDR2 | |
| SCHEMBL7975088 | 0.82 | HDAC1 (0.35) | RARBCCR5RARARARGMPL |
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-6235771-B1 | AIDS THERPAY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-05-22 | — | — | US | disclosed |