Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | CCR5 | P51681 | 1/20 | 0.41 |
| ▸ | MIF | P14174 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 2/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.36 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 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 | |
|---|---|---|---|---|
| SCHEMBL7007862 | 0.87 | ESR1 (0.47) | PBRM1ESR1ESR2SMN1; SMN2TRPA1 | |
| SCHEMBL28395351 | 0.80 | PBRM1 (0.42) | PBRM1LMNAESR1ESR2TRPA1 | |
| SCHEMBL169508 | 0.79 | LMNA (0.56) | LMNACCR5MIFTRPA1TAAR1 | |
| SCHEMBL6803229 | 0.79 | LMNA (0.48) | LMNACCR5MIFSMN1; SMN2TAAR1 | |
| SCHEMBL27837727 | 0.79 | GABBR2 (0.50) | PBRM1ESR1ESR2SMN1; SMN2TRPA1 | |
| SCHEMBL28576221 | 0.79 | ESR1 (0.46) | PBRM1LMNAESR1ESR2SMN1; SMN2 | |
| SCHEMBL7886991 | 0.79 | ESR1 (0.46) | PBRM1LMNAESR1ESR2SMN1; SMN2 | |
| SCHEMBL14518608 | 0.78 | S1PR1 (0.41) | — | |
| SCHEMBL3355723 | 0.78 | PBRM1 (0.33) | PBRM1ESR1ESR2PDE4APDE4B | |
| SCHEMBL8738393 | 0.78 | CPN1 (0.37) | PBRM1LMNAESR1ESR2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-109809962-A | A kind of new synthetic method of 2- (4- bromomethyl) phenylpropionic acid | 盘锦格林凯默科技有限公司 | 2019-05-28 | — | — | CN | disclosed |