Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL376960 | 0.82 | TAAR1 (0.46) | MAPTTAAR1TSHRALDH1A1ACHE | |
| SCHEMBL29957198 | 0.82 | TAAR1 (0.46) | MAPTTAAR1TSHRALDH1A1ACHE | |
| SCHEMBL30231281 | 0.74 | ESR1 (0.47) | ESR1ESR2TRPA1ATMTP53 | |
| SCHEMBL3306785 | 0.74 | ESR1 (0.47) | ESR1ESR2TRPA1ATMTP53 | |
| SCHEMBL6547407 | 0.74 | ESR1 (0.47) | ESR1ESR2TRPA1ATMTP53 | |
| SCHEMBL11366815 | 0.73 | HSPA5 (0.33) | CYP1A2 | |
| SCHEMBL29420847 | 0.72 | GABRA1 (0.50) | ESR1ESR2TRPA1ATMTP53 | |
| SCHEMBL5349758 | 0.72 | ESR1 (0.46) | ESR1ESR2TRPA1ATMTP53 | |
| SCHEMBL140570 | 0.72 | GABRA1 (0.50) | ESR1ESR2TRPA1ATMTP53 | |
| SCHEMBL11855414 | 0.71 | ESR1 (0.42) | ESR1ESR2TRPA1ATMTP53 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |