Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.64 |
| ▸ | TSHR | P16473 | 5/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.55 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.50 |
| ▸ | PPARG | P37231 | 7/20 | 0.50 |
| ▸ | PPARD | Q03181 | 7/20 | 0.50 |
| ▸ | PPARA | Q07869 | 7/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.50 |
| ▸ | TLR2 | O60603 | 2/20 | 0.50 |
| ▸ | FABP4 | P15090 | 2/20 | 0.50 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.50 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | PDE4A | P27815 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Dodecanoate SCHEMBL27819984 | 0.92 | GPR84 (0.65) | ALDH1A1TDP1TSHRLMNAGPR84 | |
| Hexanoate SCHEMBL1684007 | 0.90 | AKR1B1 (0.64) | ALDH1A1TDP1TSHRLMNAGPR84 | |
| Methyl Isobutyl Ketone SCHEMBL11677781 | 0.87 | ALDH1A1 (0.58) | ALDH1A1TDP1TSHRLMNANFKB1 | |
| Hexanoate SCHEMBL27493355 | 0.86 | GPR84 (0.57) | ALDH1A1TDP1TSHRLMNAGPR84 | |
| Methyl Isobutyl Ketone SCHEMBL809423 | 0.83 | — | — | |
| SCHEMBL5744776 | 0.82 | KMT2A (0.56) | ALDH1A1TDP1TSHRLMNANFKB1 | |
| SCHEMBL11519181 | 0.82 | KMT2A (0.56) | ALDH1A1TDP1TSHRLMNANFKB1 | |
| SCHEMBL12970907 | 0.82 | KMT2A (0.56) | ALDH1A1TDP1TSHRLMNANFKB1 | |
| Methyl Isobutyl Ketone SCHEMBL8955721 | 0.80 | ALDH1A1 (0.88) | ALDH1A1TDP1LMNA | |
| Methyl Isobutyl Ketone SCHEMBL1580340 | 0.80 | — | — |
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-107954858-A | A kind of crystal form of heneicosanedioic acid and preparation method thereof | 天津大学 | 2018-04-24 | — | — | CN | disclosed |