Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 7/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GRM7 | Q14831 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16431429 | 0.80 | GAA (0.39) | TRPA1GRM7TSHRMEN1KMT2A | |
| SCHEMBL28938653 | 0.80 | FAAH (0.45) | — | |
| SCHEMBL27453351 | 0.79 | HDAC4 (0.42) | — | |
| SCHEMBL10658578 | 0.74 | MTNR1A (0.41) | MTNR1AMTNR1BPOLBGRM7CYP1A2 | |
| SCHEMBL7462076 | 0.74 | TRPA1 (0.38) | TRPA1MTNR1AMTNR1BPOLBCYP1A2 | |
| SCHEMBL14953404 | 0.74 | KEAP1 (0.35) | POLBCYP2C19KMT2A | |
| Hydrochloric Acid SCHEMBL1509729 | 0.73 | KEAP1 (0.35) | POLBCYP2C19KMT2A | |
| SCHEMBL28144460 | 0.73 | XIAP (0.40) | KMT2A | |
| SCHEMBL28144463 | 0.73 | XIAP (0.40) | KMT2A | |
| SCHEMBL23794999 | 0.72 | POLB (0.37) | TRPA1MTNR1AMTNR1BPOLBCYP1A2 |
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-105777712-B | Tetrahydroisoquinoliderivs derivs and its application | 沈阳药科大学 | 2018-05-22 | — | — | CN | disclosed |
| CN-105777712-A | Tetrahydroisoquinoline derivative and application thereof | 沈阳药科大学 | 2016-07-20 | — | — | CN | disclosed |
| CN-103732589-B | Can be used as the sulphonamide of the replacement of anti-apoptotic BCL inhibitor | BRISTOL-MYERS SQUIBB CO. (US) | 2016-03-30 | — | — | CN | disclosed |