Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | SRC | P12931 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.47 |
| ▸ | MME | P08473 | 3/20 | 0.46 |
| ▸ | APAF1 | O14727 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.44 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL585192 | 1.00 | CYP2D6 (0.52) | CYP2D6SRCLMNAMAPK1PTGS2 | |
| SCHEMBL19182691 | 0.86 | LMNA (0.46) | CYP2D6SRCLMNAMAPK1PTGS2 | |
| SCHEMBL28842374 | 0.86 | CYP2D6 (0.46) | CYP2D6SRCLMNAMAPK1PTGS2 | |
| SCHEMBL15314624 | 0.85 | CYP2D6 (0.46) | CYP2D6SRCLMNAMAPK1PTGS2 | |
| SCHEMBL13021113 | 0.85 | CYP2D6 (0.46) | CYP2D6SRCLMNAMAPK1PTGS2 | |
| SCHEMBL15342224 | 0.84 | CYP3A4 (0.49) | CYP2D6SRCLMNAMAPK1MME | |
| SCHEMBL6724975 | 0.84 | CYP2D6 (0.44) | CYP2D6SRCLMNAMAPK1PTGS2 | |
| SCHEMBL4568744 | 0.84 | CYP3A4 (0.49) | CYP2D6SRCLMNAMAPK1MME | |
| SCHEMBL27383313 | 0.82 | KEAP1 (0.49) | LMNAPTGS2SMN1; SMN2ALDH1A1ALOX5 | |
| SCHEMBL7475015 | 0.82 | ALOX5 (0.55) | CYP2D6SRCLMNAKDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0837845-B1 | HERPES RIBONUCLEOTIDE REDUCTASE INHIBITORS | BOEHRINGER INGELHEIM CA LTD (CA) | 2001-11-28 | — | — | EP | disclosed |
| US-5672586-A | Herpes ribonucleotide reductase inhibitors | BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH, INC. (CA) | 1997-09-30 | — | — | US | disclosed |