Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | DHODH | Q02127 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | CA6 | P23280 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| 1,3-Propanediol SCHEMBL28693826 | 0.95 | HTT (0.37) | GPR84FFAR1FFAR4HTTLDHA | |
| Ethylene Glycol SCHEMBL25435561 | 0.90 | LDHA (0.38) | HTTLDHACYP1A2ALDH1A1ALOX15 | |
| SCHEMBL36897 | 0.84 | ALDH1A1 (0.45) | LDHACYP1A2ALDH1A1ALOX15CA2 | |
| Hydrochloric Acid SCHEMBL11203129 | 0.82 | ALDH1A1 (0.43) | LDHACYP1A2ALDH1A1ALOX15CA2 | |
| SCHEMBL11574505 | 0.82 | ALDH1A1 (0.43) | LDHACYP1A2ALDH1A1ALOX15CA2 | |
| Hydrochloric Acid SCHEMBL7231265 | 0.82 | ALDH1A1 (0.43) | LDHACYP1A2ALDH1A1ALOX15CA2 | |
| Butane SCHEMBL3012832 | 0.78 | LDHA (0.37) | LDHACYP1A2ALDH1A1ALOX15CA2 | |
| SCHEMBL5253316 | 0.76 | LDHA (0.35) | LDHACYP1A2ALDH1A1ALOX15CA2 | |
| Phthalic Acid SCHEMBL10360600 | 0.73 | ALDH1A1 (0.70) | HTTALDH1A1ALOX15CA2KDM4E | |
| Phthalic Acid SCHEMBL5690459 | 0.73 | ALDH1A1 (0.70) | CYP1A2ALDH1A1ALOX15CA2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023173791-A1 | POLYESTER MATERIAL AND POLYESTER PRODUCT, AND PREPARATION METHODS THEREFOR AND USE THEREOF | 中国科学院宁波材料技术与工程研究所 | 2023-09-21 | — | — | WO | disclosed |