Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 3/20 | 0.38 |
| ▸ | PPARA | Q07869 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL700292 | 0.84 | ALDH1A1 (0.43) | CYP2C9CYP2C19ALDH1A1CYP2A6KDM4E | |
| SCHEMBL29492107 | 0.84 | ALDH1A1 (0.30) | ALDH1A1HSD17B10 | |
| SCHEMBL333685 | 0.84 | ALDH1A1 (0.30) | ALDH1A1HSD17B10 | |
| SCHEMBL29376410 | 0.81 | DHFR (0.40) | PPARGPPARACYP2C9CYP2C19PPARD | |
| SCHEMBL3656667 | 0.81 | DHFR (0.40) | PPARGPPARACYP2C9CYP2C19PPARD | |
| SCHEMBL202312 | 0.81 | DHFR (0.40) | PPARGPPARACYP2C9CYP2C19PPARD | |
| SCHEMBL9111444 | 0.76 | ALDH1A1 (0.39) | ALDH1A1CYP2A6DHFRPTPN1KDM4E | |
| SCHEMBL3816387 | 0.75 | DNMT1 (0.37) | ALDH1A1CYP2A6TSHRHSD17B10TDP1 | |
| SCHEMBL196673 | 0.75 | NPC1 (0.36) | ALDH1A1GAATSHRNISCH | |
| SCHEMBL25302086 | 0.74 | ALDH1A1 (0.59) | ALDH1A1CYP2A6PTPN1KDM4EALPL |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1354887-B1 | Ligands for metals and improved metal-catalyzed processes based thereon | MASSACHUSETTS INST TECHNOLOGY (US) | 2007-04-25 | — | — | EP | disclosed |
| EP-1097158-B1 | LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES | MASSACHUSETTS INST TECHNOLOGY (US) | 2006-01-25 | — | — | EP | disclosed |
| EP-1354887-A1 | Ligands for metals and improved metal-catalyzed processes based thereon | Massachusetts Insitute of Technology (US) | 2003-10-22 | — | — | EP | disclosed |
| EP-1097158-A2 | LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2001-05-09 | — | — | EP | disclosed |
| WO-2000002887-A2 | LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2000-01-20 | — | — | WO | disclosed |