Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | NR5A2 | O00482 | 1/20 | 0.38 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TYR | P14679 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29898194 | 0.98 | TSHR (0.47) | TSHRCYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL23793635 | 0.92 | TSHR (0.44) | TSHRCYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL23793643 | 0.91 | CA2 (0.46) | TSHRCYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL28857538 | 0.88 | CYP1A2 (0.42) | TSHRCYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL12708209 | 0.82 | NR5A2 (0.43) | TSHRCYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL394716 | 0.78 | CA2 (0.45) | TSHRCYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL11686726 | 0.77 | CA2 (0.43) | TSHRCYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL2950559 | 0.77 | ALDH1A1 (0.43) | TSHRCA2CA1ALDH1A1POLB | |
| SCHEMBL23792614 | 0.75 | GABRA1 (0.38) | TSHRCYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL8986512 | 0.75 | CA2 (0.61) | TSHRCYP3A4CYP2C9CYP2C19CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130281653-A1 | N-Heterocyclic Carbene Based Zirconium Complexes For Use In Lactones Ring Opening Polymerization | CLARIANT FINANCE (BVI) LIMITED (VG) | 2013-10-24 | — | — | US | disclosed |
| EP-2649083-A1 | N-HETEROCYCLIC CARBENE BASED ZIRCONIUM COMPLEXES FOR USE IN LACTONES RING OPENING POLYMERIZATION | Clariant Finance (BVI) Limited (VG) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012076140-A1 | N-HETEROCYCLIC CARBENE BASED ZIRCONIUM COMPLEXES FOR USE IN LACTONES RING OPENING POLYMERIZATION | CLARIANT INTERNATIONAL LTD (CH) | 2012-06-14 | — | — | WO | disclosed |