Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | SRC | P12931 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.43 |
| ▸ | MME | P08473 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.42 |
| ▸ | APAF1 | O14727 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.41 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7940904 | 1.00 | CYP2D6 (0.52) | CYP2D6KMT2ASRCLMNAMAPK1 | |
| SCHEMBL15446270 | 0.84 | CYP2D6 (0.48) | CYP2D6KMT2ASRCLMNAMAPK1 | |
| SCHEMBL14574468 | 0.82 | ALDH1A1 (0.50) | CYP2D6KMT2ASRCLMNAMAPK1 | |
| SCHEMBL7284490 | 0.80 | CYP2D6 (0.44) | CYP2D6KMT2ASRCLMNAMAPK1 | |
| SCHEMBL3392489 | 0.78 | CYP2D6 (0.70) | CYP2D6KMT2ASRCLMNAMAPK1 | |
| SCHEMBL15554269 | 0.78 | CYP2D6 (0.70) | CYP2D6KMT2ASRCLMNAMAPK1 | |
| SCHEMBL16093541 | 0.77 | CYP2D6 (0.67) | CYP2D6KMT2ASRCLMNAMAPK1 | |
| SCHEMBL2000460 | 0.76 | CYP2D6 (0.48) | CYP2D6KMT2ASRCLMNAMAPK1 | |
| SCHEMBL15462186 | 0.76 | MME (0.44) | CYP2D6KMT2ALMNATP53TSHR | |
| SCHEMBL22667711 | 0.76 | FFAR1 (0.41) | CYP2D6KMT2ATP53TSHRMME |
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-6248755-B1 | ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES | MERCK & CO., INC. | 2001-06-19 | — | — | US | disclosed |