Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 5/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 5/20 | 0.43 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TGM2 | P21980 | 1/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
| ▸ | GLS | O94925 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1448505 | 0.85 | EGFR (0.53) | EGFRERBB2MAOBHCAR2MAPK8 | |
| SCHEMBL1515936 | 0.78 | AKR1B1 (0.52) | ALDH1A1TP53FAAH | |
| SCHEMBL23365340 | 0.77 | TP53 (0.46) | ALDH1A1TP53FAAH | |
| SCHEMBL22607884 | 0.77 | TGM2 (0.47) | EGFRERBB2MAOBHCAR2TGM2 | |
| Hydrochloric Acid SCHEMBL3624137 | 0.77 | AKR1B1 (0.50) | ALDH1A1TP53FAAH | |
| SCHEMBL3624135 | 0.77 | FAAH (0.42) | ALDH1A1TP53FAAH | |
| SCHEMBL12731510 | 0.76 | EGFR (0.49) | EGFRERBB2MAOBHCAR2MAPK8 | |
| SCHEMBL5950139 | 0.76 | EGFR (0.49) | EGFRERBB2MAOBHCAR2MAPK8 | |
| SCHEMBL50668 | 0.75 | — | — | |
| SCHEMBL30435177 | 0.75 | — | — |
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-2012107163-A1 | SUBSTITUTED DIBENZONAPHTHACENE | MERCK PATENT GMBH (DE) | 2012-08-16 | — | — | WO | disclosed |