Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.32 |
| ▸ | RXRA | P19793 | 2/20 | 0.32 |
| ▸ | PPARG | P37231 | 2/20 | 0.32 |
| ▸ | OXER1 | Q8TDS5 | 2/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.31 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.31 |
| ▸ | F7 | P08709 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | F3 | P13726 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | PPARD | Q03181 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL8383042 | 0.81 | — | — | |
| SCHEMBL8377739 | 0.76 | — | — | |
| SCHEMBL13003226 | 0.75 | PTGS1 (0.55) | PTGS1ALDH1A1CYP19A1RXRAPPARG | |
| SCHEMBL31411206 | 0.75 | PTGS1 (0.39) | PTGS1ALDH1A1CYP19A1RXRAPPARG | |
| SCHEMBL31411207 | 0.75 | PTGS1 (0.39) | PTGS1ALDH1A1CYP19A1RXRAPPARG | |
| SCHEMBL42070 | 0.72 | — | — | |
| SCHEMBL8744940 | 0.72 | — | — | |
| SCHEMBL20013020 | 0.72 | PTGS1 (0.51) | PTGS1ALDH1A1CYP19A1RXRAPPARG | |
| SCHEMBL25468801 | 0.70 | — | — | |
| SCHEMBL1454181 | 0.70 | — | — |
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-7173004-B2 | Macrocyclic isoquinoline peptide inhibitors of hepatitis C virus | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-02-06 | — | — | US | disclosed |