Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL28286875 | 0.92 | CA12 (0.48) | ALDH1A1HPGDSMN1; SMN2TSHRNPC1 | |
| Bicarbonate SCHEMBL1836484 | 0.88 | MCL1 (0.47) | ALDH1A1HPGDSMN1; SMN2TSHRNPC1 | |
| SCHEMBL1556561 | 0.87 | ALDH1A1 (0.50) | ALDH1A1HPGDSMN1; SMN2TSHRNPC1 | |
| Ammonia Solution, Strong SCHEMBL28419333 | 0.85 | ALDH1A1 (0.48) | ALDH1A1HPGDSMN1; SMN2TSHRNPC1 | |
| Water SCHEMBL7781910 | 0.85 | ALDH1A1 (0.48) | ALDH1A1HPGDSMN1; SMN2TSHRNPC1 | |
| Hydrogen Sulfide SCHEMBL27587997 | 0.85 | ALDH1A1 (0.48) | ALDH1A1HPGDSMN1; SMN2TSHRNPC1 | |
| Benzene SCHEMBL28231912 | 0.85 | ALDH1A1 (0.52) | ALDH1A1HPGDSMN1; SMN2PTGS2BCL2L1 | |
| Formic Acid SCHEMBL28296906 | 0.85 | ALDH1A1 (0.52) | ALDH1A1HPGDSMN1; SMN2PTGS2BCL2L1 | |
| Formic Acid SCHEMBL27623694 | 0.85 | ALDH1A1 (0.52) | ALDH1A1HPGDSMN1; SMN2PTGS2BCL2L1 | |
| Phosphoric Acid SCHEMBL27859638 | 0.84 | ALDH1A1 (0.46) | ALDH1A1HPGDSMN1; SMN2TSHRNPC1 |
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-109574811-B | Preparation method of anidulafungin side chain intermediate p-pentoxy terphenyl formic acid | 中山大学 | 2021-12-24 | — | — | CN | disclosed |