Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | HTR6 | P50406 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 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 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| SCHEMBL5601754 | 0.85 | CA1 (0.42) | CA1CA2HTR6KDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL6064196 | 0.81 | CA1 (0.40) | CA1CA2HTR6KDM4EMEN1 | |
| SCHEMBL5601666 | 0.81 | CA1 (0.44) | CA1CA2HTR6KDM4EMEN1 | |
| Chloromethane SCHEMBL5600912 | 0.80 | CA1 (0.40) | CA1CA2HTR6KDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL5603140 | 0.80 | CA1 (0.39) | CA1CA2HTR6KDM4EMEN1 | |
| Fluoride Ion SCHEMBL5603612 | 0.80 | CA1 (0.39) | CA1CA2HTR6KDM4EMEN1 | |
| Bromide SCHEMBL5600682 | 0.80 | CA1 (0.39) | CA1CA2HTR6KDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL5602265 | 0.80 | CA1 (0.39) | CA1CA2HTR6KDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL5602208 | 0.80 | CA1 (0.39) | CA1CA2HTR6KDM4EMEN1 | |
| SCHEMBL5601213 | 0.79 | CA1 (0.42) | CA1CA2HTR6KDM4EMEN1 |
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 |