Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 4/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1387828 | 0.81 | CFTR (0.38) | HTR2CHTR2BSLC6A2ALDH1A1HSD17B10 | |
| SCHEMBL6662143 | 0.78 | CYP2A6 (0.38) | EGFRERBB2HTR2CHTR2BKDM4E | |
| SCHEMBL3200590 | 0.74 | CA1 (0.36) | KDM4EALDH1A1ADORA2AADORA1MEN1 | |
| Acetone SCHEMBL28756352 | 0.73 | EDNRA (0.36) | KDM4EALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL5967745 | 0.73 | MEN1 (0.34) | ALDH1A1MEN1KMT2A | |
| SCHEMBL13414982 | 0.73 | CYP2A6 (0.39) | EGFRERBB2KDM4EALDH1A1HSD17B10 | |
| SCHEMBL3206140 | 0.71 | MEN1 (0.46) | KDM4EALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL3211826 | 0.71 | PRSS1 (0.32) | CYP1A2CYP2D6 | |
| SCHEMBL3206645 | 0.69 | PIM1 (0.35) | KDM4EALDH1A1ADORA2AADORA1MEN1 | |
| SCHEMBL29008132 | 0.69 | HTR2A (0.34) | ALDH1A1HSD17B10CYP3A4 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1027314-A4 | COUPLING REACTIONS OF 2-SUBSTITUTED, 7-HALOINDENES WITH ARYL SUBSTITUENTS TO PRODUCE METALLOCENE CATALYST LIGANDS | BOULDER SCIENT CO (US) | 2003-03-19 | — | — | EP | claimed |
| US-6465700-B1 | E.G., 2-METHYL-7-CHLOROINDENE. | BOULDER SCIENTIFIC COMPANY | 2002-10-15 | — | — | US | claimed |
| EP-1027314-A1 | COUPLING REACTIONS OF 2-SUBSTITUTED, 7-HALOINDENES WITH ARYL SUBSTITUENTS TO PRODUCE METALLOCENE CATALYST LIGANDS | BOULDER SCIENTIFIC COMPANY (US) | 2000-08-16 | — | — | EP | claimed |
| WO-2000007968-A1 | COUPLING REACTIONS OF 2-SUBSTITUTED, 7-HALOINDENES WITH ARYL SUBSTITUENTS TO PRODUCE METALLOCENE CATALYST LIGANDS | BOULDER SCIENTIFIC COMPANY (US) | 2000-02-17 | — | — | WO | claimed |
| EP-1027314-A4 | COUPLING REACTIONS OF 2-SUBSTITUTED, 7-HALOINDENES WITH ARYL SUBSTITUENTS TO PRODUCE METALLOCENE CATALYST LIGANDS | BOULDER SCIENT CO (US) | 2003-03-19 | — | — | EP | disclosed |
| US-6465700-B1 | E.G., 2-METHYL-7-CHLOROINDENE. | BOULDER SCIENTIFIC COMPANY | 2002-10-15 | — | — | US | disclosed |
| EP-1027314-A1 | COUPLING REACTIONS OF 2-SUBSTITUTED, 7-HALOINDENES WITH ARYL SUBSTITUENTS TO PRODUCE METALLOCENE CATALYST LIGANDS | BOULDER SCIENTIFIC COMPANY (US) | 2000-08-16 | — | — | EP | disclosed |
| WO-2000007968-A1 | COUPLING REACTIONS OF 2-SUBSTITUTED, 7-HALOINDENES WITH ARYL SUBSTITUENTS TO PRODUCE METALLOCENE CATALYST LIGANDS | BOULDER SCIENTIFIC COMPANY (US) | 2000-02-17 | — | — | WO | disclosed |