Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | S100B | P04271 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.38 |
| ▸ | HTR3B | O95264 | 2/20 | 0.38 |
| ▸ | HTR3A | P46098 | 2/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.38 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.38 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21163006 | 0.88 | TEAD4 (0.44) | ALDH1A1KDM4ECYP2D6CYP2C9PTGS2 | |
| SCHEMBL13590027 | 0.87 | S100B (0.50) | ALDH1A1KDM4ECYP2D6CYP2C9CA2 | |
| SCHEMBL30621334 | 0.85 | CYP2D6 (0.56) | ALDH1A1KDM4ECYP2D6CYP2C9CYP2A6 | |
| SCHEMBL14816948 | 0.85 | CYP2D6 (0.56) | ALDH1A1KDM4ECYP2D6CYP2C9CYP2A6 | |
| SCHEMBL7092582 | 0.76 | ALDH1A1 (0.38) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL20865592 | 0.76 | ALDH1A1 (0.48) | ALDH1A1KDM4ECYP2D6CYP2C9PTGS2 | |
| SCHEMBL85152 | 0.76 | MAPT (0.47) | ALDH1A1KDM4ECYP2D6CYP2C9CYP2A6 | |
| SCHEMBL7094845 | 0.76 | ALDH1A1 (0.46) | ALDH1A1KDM4ES100BTDP1MAPT | |
| SCHEMBL10153374 | 0.76 | CYP2C9 (0.53) | ALDH1A1KDM4ECYP2C9PTGS2PTGS1 | |
| SCHEMBL14459430 | 0.76 | S100B (0.49) | ALDH1A1CYP2A6PTGS2PTGS1CA12 |
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-2003084662-A2 | COVALENTLY FIXED LIGAND SYSTEMS, NON-METALLOCENE SYSTEMS AND CATALYST SYSTEMS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF FOR POLYMERIZING OLEFINS | CELANESE VENTURES GMBH (DE) | 2003-10-16 | — | — | WO | disclosed |