Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.66 |
| ▸ | TSHR | P16473 | 4/20 | 0.66 |
| ▸ | LMNA | P02545 | 2/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.63 |
| ▸ | TP53 | P04637 | 1/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
| ▸ | MMP1 | P03956 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | MMP12 | P39900 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5069966 | 1.00 | ALDH1A1 (0.66) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL28818179 | 0.93 | TSHR (0.73) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL9239197 | 0.92 | TSHR (0.60) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL9240016 | 0.92 | TSHR (0.60) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL28375546 | 0.90 | ALDH1A1 (0.68) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL30019286 | 0.89 | ALDH1A1 (0.55) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL30019234 | 0.89 | ALDH1A1 (0.55) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL30019261 | 0.89 | ALDH1A1 (0.55) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL30017756 | 0.89 | ALDH1A1 (0.55) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| 2-Hydroxybenzoic Acid Hexyl Ester SCHEMBL29981441 | 0.87 | ALDH1A1 (0.60) | ALDH1A1TSHRLMNACYP3A4MAPK1 |
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-106883122-B | Vinyl isophthalic acid dialkyl ester monomer, liquid crystal polymer thereof and preparation method thereof | 南京林业大学 | 2020-01-14 | — | — | CN | disclosed |