Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 3/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | FPR1 | P21462 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
| ▸ | RXRA | P19793 | 1/20 | 0.30 |
| ▸ | HNF4A | P41235 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL8661565 | 0.93 | KMT2A (0.31) | PTGDR2MEN1ALDH1A1KMT2A | |
| SCHEMBL7652366 | 0.86 | KMT2A (0.44) | PTGDR2TSHRRXRAHNF4AMEN1 | |
| SCHEMBL7653907 | 0.85 | ALDH1A1 (0.34) | PTGDR2ALDH1A1 | |
| SCHEMBL8662212 | 0.84 | CYP3A4 (0.38) | ALOX5PTGDR2ACACBPPARGPPARA | |
| SCHEMBL8661568 | 0.84 | CYP3A4 (0.33) | PTGDR2ACACBPPARGPPARAKMT2A | |
| SCHEMBL8663351 | 0.84 | KMT2A (0.31) | ACACBRXRAHNF4AALDH1A1KMT2A | |
| SCHEMBL7652859 | 0.83 | CYP3A4 (0.33) | PTGDR2ACACBPPARGPPARAKMT2A | |
| SCHEMBL8659444 | 0.82 | — | — | |
| SCHEMBL8672856 | 0.82 | ALOX5 (0.32) | ALOX5 | |
| SCHEMBL8663068 | 0.81 | — | — |
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-6090826-A | Disubstituted acetylenes bearing heterobicyclic groups and heteroaromatic or phenyl groups having retinoid like activity | ALLERGAN SALES, INC. (US) | 2000-07-18 | — | — | US | disclosed |