Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | SCN1A | P35498 | 1/20 | 0.39 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.39 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8629689 | 0.79 | TSHR (0.50) | TSHRLMNACYP2D6CYP1A2CYP2C19 | |
| SCHEMBL27461423 | 0.72 | CYP2D6 (0.39) | TSHRCYP2D6CYP1A2CYP2C19SRC | |
| SCHEMBL27421208 | 0.72 | CYP2D6 (0.39) | TSHRCYP2D6CYP1A2CYP2C19SRC | |
| SCHEMBL8634343 | 0.72 | KMT2A (0.46) | TSHRLMNACYP2D6HTR1AMAPK1 | |
| SCHEMBL8630758 | 0.72 | IDO1 (0.44) | TSHRCYP2D6CYP1A2CYP2C19SRC | |
| SCHEMBL8629879 | 0.71 | KMT2A (0.48) | LMNACYP2D6HTR1AMAPK1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL27546328 | 0.71 | LMNA (0.65) | TSHRLMNACYP2D6CYP1A2CYP2C19 | |
| Methyl Benzoate SCHEMBL28578805 | 0.68 | TSHR (0.70) | TSHRLMNACYP1A2CYP2C19SLC6A3 | |
| SCHEMBL28039007 | 0.68 | HPGD (0.57) | LMNACYP2D6CYP1A2CYP2C19TDP1 | |
| SCHEMBL27410007 | 0.68 | ALDH1A1 (0.31) | CES2CES1ALDH1A1 |
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-1091741-A | Tartronic acid and acetal ether thereof and O-ester | DOMPE FARMACEUTICI SPA (IT) | 1994-09-07 | — | — | CN | disclosed |