Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.39 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSH | P09668 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL688608 | 0.81 | TSHR (0.46) | ALDH1A1TDP1TSHRCYP3A4GAA | |
| SCHEMBL2881308 | 0.77 | ALDH1A1 (0.56) | MCL1ALDH1A1TDP1GPR35PIM1 | |
| SCHEMBL6858240 | 0.76 | MCL1 (0.49) | MCL1ALDH1A1TDP1GPR35PIM1 | |
| SCHEMBL6397577 | 0.73 | TRPA1 (0.40) | ALDH1A1TDP1TSHRCYP3A4ESR1 | |
| SCHEMBL22363065 | 0.73 | MCL1 (0.46) | MCL1ALDH1A1TDP1GPR35PIM1 | |
| SCHEMBL28136370 | 0.73 | MCL1 (0.46) | MCL1ALDH1A1TDP1GPR35PIM1 | |
| SCHEMBL4363348 | 0.72 | GPR35 (0.60) | MCL1ALDH1A1TDP1GPR35TSHR | |
| SCHEMBL5206322 | 0.72 | ALDH1A1 (0.54) | MCL1ALDH1A1TDP1GPR35PIM1 | |
| SCHEMBL28740174 | 0.72 | ALDH1A1 (0.54) | MCL1ALDH1A1TDP1GPR35PIM1 | |
| Acetic Acid SCHEMBL29244387 | 0.71 | ALDH1A1 (0.48) | MCL1ALDH1A1TDP1GPR35PIM1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1079397-C | 4-(benzo-1,3-dioxolyl)-pyrrolidine-3-carboxylic acid derivatives endothelin antagonists | ABBOTT LAB (US) | 2002-02-20 | — | — | CN | disclosed |
| CN-1265097-A | Pyrrolidine carboxylic acid derivatives as endothelin antagonists | ABBOTT LAB (US) | 2000-08-30 | — | — | CN | disclosed |
| CN-1215401-A | 4-(benzo-1,3-dioxolyl)-pyrrolidine-3-carboxylic acid derivatives endothelin antagonists | ABBOTT LAB (US) | 1999-04-28 | — | — | CN | disclosed |