Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | SRC | P12931 | 1/20 | 0.45 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.40 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11390783 | 0.79 | BRD4 (0.53) | CYP2D6SRCLMNAMAPK1ALDH1A1 | |
| SCHEMBL9671856 | 0.78 | CYP2D6 (0.46) | CYP2D6SRCLMNAMAPK1ALDH1A1 | |
| SCHEMBL6159580 | 0.78 | CYP2D6 (0.46) | CYP2D6SRCLMNAMAPK1ALDH1A1 | |
| SCHEMBL5880392 | 0.77 | HKDC1 (0.47) | CYP2D6SRCPDPK1LMNAMAPK1 | |
| SCHEMBL28787458 | 0.76 | DPP4 (0.50) | CYP2D6SRCLMNAMAPK1PTGS1 | |
| SCHEMBL23743139 | 0.75 | CYP2D6 (0.48) | CYP2D6SRCLMNAMAPK1TDP1 | |
| SCHEMBL7434255 | 0.74 | ALPI (0.50) | CYP2D6PDPK1TDP1L3MBTL1MAPT | |
| SCHEMBL6691791 | 0.74 | BRD4 (0.63) | CYP2D6SRCLMNAMAPK1TDP1 | |
| SCHEMBL7343000 | 0.74 | CYP2D6 (0.46) | CYP2D6SRCLMNAMAPK1TDP1 | |
| SCHEMBL8925590 | 0.72 | LMNA (0.54) | CYP2D6SRCLMNAMAPK1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5786494-A | Process for the synthesis of α-substituted acrylic acids and their application | SOCIETE CIVILE BIOPROJET (FR) | 1998-07-28 | — | — | US | disclosed |
| EP-0481522-A1 | Novel mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ace | MERRELL PHARMACEUTICALS INC. (US) | 1992-04-22 | — | — | EP | disclosed |