Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | ZDHHC20 | Q5W0Z9 | 2/20 | 0.44 |
| ▸ | ZDHHC2 | Q9UIJ5 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 4/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 5/20 | 0.38 |
| ▸ | THRA | P10827 | 4/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL29250870 | 0.91 | TSHR (0.50) | TSHRALDH1A1ZDHHC20ZDHHC2HPGD | |
| Acrylic Acid SCHEMBL28403837 | 0.86 | TSHR (0.52) | TSHRALDH1A1ZDHHC20ZDHHC2TDP1 | |
| Acrylic Acid SCHEMBL27618977 | 0.84 | TSHR (0.56) | TSHRALDH1A1ZDHHC20ZDHHC2TDP1 | |
| Acrylic Acid SCHEMBL27961272 | 0.84 | TSHR (0.50) | TSHRALDH1A1ZDHHC20ZDHHC2TDP1 | |
| Acrylic Acid SCHEMBL5480845 | 0.84 | TSHR (0.56) | TSHRALDH1A1ZDHHC20ZDHHC2TDP1 | |
| Acrylamide SCHEMBL28822294 | 0.84 | TSHR (0.50) | TSHRALDH1A1ZDHHC20ZDHHC2TDP1 | |
| SCHEMBL27759501 | 0.83 | TSHR (0.67) | TSHRALDH1A1TDP1FAAHTP53 | |
| Dodecanol SCHEMBL28349554 | 0.80 | TSHR (0.56) | TSHRALDH1A1ZDHHC20ZDHHC2HPGD | |
| SCHEMBL28536289 | 0.78 | TSHR (0.60) | TSHRALDH1A1TDP1FAAHTP53 | |
| SCHEMBL10773744 | 0.78 | TSHR (0.68) | TSHRALDH1A1TDP1FAAHCES2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107142110-A | A kind of preparation method of chemical sand-fixing materialses | 闫博文 | 2017-09-08 | — | — | CN | claimed |
| CN-107142110-A | A kind of preparation method of chemical sand-fixing materialses | 闫博文 | 2017-09-08 | — | — | CN | disclosed |
| CN-103755672-B | A kind of specificity fluorescent probe for identifying cysteine and application thereof | 大连理工常熟研究院有限公司 | 2016-08-17 | — | — | CN | disclosed |