Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 3/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA4 | P22748 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL18398 | 0.78 | MAPK1 (0.36) | ALDH1A1TSHRESR1ESR2CYP3A4 | |
| Hydrochloric Acid SCHEMBL1295227 | 0.75 | MAPK1 (0.35) | ALDH1A1TSHRESR1ESR2CYP3A4 | |
| SCHEMBL30367101 | 0.75 | MAPK1 (0.35) | ALDH1A1TSHRESR1ESR2CYP3A4 | |
| SCHEMBL20101787 | 0.72 | CA2 (0.43) | ALDH1A1TDP1TSHRHPGDCA2 | |
| Isobutane SCHEMBL28190489 | 0.69 | CYP1A2 (0.37) | ALDH1A1TDP1TSHRCYP3A4HSD17B10 | |
| Trifluoromethanesulfonic Acid SCHEMBL28718989 | 0.69 | HSD11B1 (0.37) | ALDH1A1TDP1TSHRHPGDCA2 | |
| Glycerin SCHEMBL4294890 | 0.67 | LMNA (0.36) | ALDH1A1KDM4ELMNAALOX15HIF1A | |
| SCHEMBL1494198 | 0.66 | ALDH1A1 (0.37) | ALDH1A1TDP1TSHRESR1ESR2 | |
| SCHEMBL4363270 | 0.66 | ALDH1A1 (0.47) | ALDH1A1TDP1TSHRHPGDCA2 | |
| SCHEMBL18860454 | 0.66 | ALDH1A1 (0.35) | ALDH1A1TDP1TSHRESR1ESR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113372372-A | Novel chiral diol ligand skeleton and synthesis method thereof | 南开大学 | 2021-09-10 | — | — | CN | claimed |
| CN-113372372-A | Novel chiral diol ligand skeleton and synthesis method thereof | 南开大学 | 2021-09-10 | — | — | CN | disclosed |