Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | HTR6 | P50406 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 3/20 | 0.32 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5601144 | 0.84 | CA1 (0.41) | CA1CA2HTR6MEN1KMT2A | |
| SCHEMBL5603549 | 0.83 | ALDH1A1 (0.36) | KDM4EL3MBTL1ALDH1A1 | |
| SCHEMBL6064831 | 0.82 | CA1 (0.40) | CA1CA2HTR6MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL6064829 | 0.82 | CA1 (0.39) | CA1CA2HTR6MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL5601134 | 0.81 | CA1 (0.38) | CA1CA2HTR6MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL5601852 | 0.81 | CA1 (0.38) | CA1CA2HTR6MEN1KMT2A | |
| SCHEMBL5601394 | 0.81 | CA1 (0.31) | CA1CA2 | |
| SCHEMBL5601901 | 0.79 | CA1 (0.30) | CA1CA2 | |
| Hydrochloric Acid SCHEMBL5601613 | 0.79 | CA1 (0.37) | CA1CA2HTR6MEN1KMT2A | |
| SCHEMBL5603352 | 0.70 | DOT1L (0.34) | — |
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-7276567-B2 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-10-02 | — | — | US | disclosed |
| US-20050261449-A1 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENT INC. | 2005-11-24 | — | — | US | disclosed |