Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 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 | |
|---|---|---|---|---|
| SCHEMBL5600478 | 0.85 | CA1 (0.46) | CA1CA2MEN1KMT2AKDM4E | |
| SCHEMBL5601174 | 0.83 | CA1 (0.40) | CA1CA2MEN1KMT2AKDM4E | |
| SCHEMBL5601312 | 0.82 | CA1 (0.39) | CA1CA2MEN1KMT2AKDM4E | |
| SCHEMBL5601666 | 0.81 | CA1 (0.44) | CA1CA2MEN1KMT2AKDM4E | |
| Fluoride SCHEMBL6064257 | 0.81 | CA1 (0.41) | CA1CA2MEN1KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL5601658 | 0.81 | CA1 (0.40) | CA1CA2MEN1KMT2AKDM4E | |
| Bromide SCHEMBL5602390 | 0.81 | CA1 (0.40) | CA1CA2MEN1KMT2AKDM4E | |
| Fluoride Ion SCHEMBL5601165 | 0.81 | CA1 (0.40) | CA1CA2MEN1KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL5601200 | 0.81 | CA1 (0.40) | CA1CA2MEN1KMT2AKDM4E | |
| Fluoride Ion SCHEMBL5601302 | 0.81 | CA1 (0.40) | CA1CA2MEN1KMT2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1735354-A1 | HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | Exxonmobil Chemical Company Inc. (US) | 2006-12-27 | — | — | EP | disclosed |
| WO-2005105864-A1 | HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2005-11-10 | — | — | WO | disclosed |