Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 4/20 | 0.52 |
| ▸ | PIM1 | P11309 | 3/20 | 0.36 |
| ▸ | BLM | P54132 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | NPR1 | P16066 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CASP2 | P42575 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31314363 | 0.92 | AHR (0.54) | AHRBLMLMNAMAPTHTT | |
| SCHEMBL19417416 | 0.92 | AHR (0.54) | AHRPIM1BLMLMNAMAPT | |
| SCHEMBL19417350 | 0.87 | AHR (0.55) | AHRBLMLMNAMAPTHTT | |
| SCHEMBL19417312 | 0.87 | AHR (0.55) | AHRLMNAMAPTKDM4EALDH1A1 | |
| SCHEMBL19417415 | 0.83 | AHR (0.46) | AHRMAPTTSHRMEN1KMT2A | |
| SCHEMBL19417334 | 0.82 | AHR (0.44) | AHRPIM1BLMLMNAMAPT | |
| SCHEMBL19417332 | 0.82 | AHR (0.44) | AHRBLMLMNAMAPTHTT | |
| SCHEMBL31314477 | 0.78 | AHR (0.44) | AHRKDM4EALDH1A1NFKB1HTR2A | |
| SCHEMBL13231753 | 0.76 | KDM4E (0.35) | MAPTHTTPKMTSHRKDM4E | |
| SCHEMBL31314293 | 0.75 | CYP2A6 (0.44) | AHRMAPTCYP1A2TP53KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012003642-A1 | FUSED TRICYCLIC COMPOUNDS AND USE THEREOF FOR TREATING VIRAL DISEASES | MERCK SHARP & DOHME CORP. (US) | 2012-01-12 | — | — | WO | disclosed |