Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 5/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | ESR1 | P03372 | 3/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28620293 | 0.77 | CES1 (0.44) | TSHRCTSLCTSSCTSKALDH1A1 | |
| SCHEMBL1344877 | 0.76 | TSHR (0.50) | TRPA1TSHRALDH1A1ESR1ESR2 | |
| SCHEMBL28622050 | 0.74 | LMNA (0.43) | TSHRCTSLALDH1A1ESR1ESR2 | |
| SCHEMBL8103989 | 0.74 | ALDH1A1 (0.40) | TRPA1TSHRALDH1A1MEN1CYP1A2 | |
| SCHEMBL8419059 | 0.74 | SIGMAR1 (0.42) | CTSLCTSSCTSKMEN1CYP1A2 | |
| SCHEMBL22338325 | 0.73 | TSHR (0.48) | TRPA1TSHRALDH1A1ESR1ESR2 | |
| SCHEMBL9057427 | 0.73 | HTR2A (0.46) | TSHRALDH1A1RAB9AHTR2ATAAR1 | |
| SCHEMBL23199874 | 0.72 | TSHR (0.52) | TRPA1TSHRALDH1A1ESR1ESR2 | |
| SCHEMBL3240433 | 0.72 | TSHR (0.46) | TRPA1TSHRALDH1A1ESR1ESR2 | |
| SCHEMBL1094363 | 0.72 | TSHR (0.52) | TRPA1TSHRALDH1A1ESR1ESR2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104701570-A | Non-aqueous organic high-voltage electrolyte additive, non-aqueous organic high-voltage electrolyte and lithium ion secondary battery | HUAWEI TECH CO LTD | 2015-06-10 | — | — | CN | disclosed |
| EP-1501803-B1 | TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROISOQUINOLINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2008-08-13 | — | — | EP | disclosed |
| EP-1501803-A4 | TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROISOQUINOLINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2006-04-26 | — | — | EP | disclosed |
| EP-1501803-A2 | TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROISOQUINOLINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003093231-A2 | TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROISOQUINOLINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2003-11-13 | — | — | WO | disclosed |