Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LNPEP | Q9UIQ6 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | TACR3 | P29371 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.38 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL9809143 | 0.76 | MEN1 (0.40) | ALDH1A1MEN1KMT2ACYP3A4TSHR | |
| SCHEMBL12271864 | 0.73 | AR (0.70) | CA1CA2TACR1TACR3ALDH1A1 | |
| SCHEMBL12271863 | 0.73 | AR (0.70) | CA1CA2TACR1TACR3ALDH1A1 | |
| SCHEMBL22981670 | 0.72 | CA12 (0.42) | CA1CA2ALDH1A1MEN1KMT2A | |
| SCHEMBL29405562 | 0.72 | CA12 (0.42) | CA1CA2ALDH1A1MEN1KMT2A | |
| SCHEMBL3291214 | 0.71 | NR3C1 (0.55) | — | |
| SCHEMBL12272764 | 0.71 | AR (0.61) | CA1CA2TACR1TACR3ALDH1A1 | |
| SCHEMBL3024103 | 0.71 | PGR (0.46) | CA1CA2ALDH1A1LOXL2LMNA | |
| SCHEMBL3021003 | 0.70 | CNR2 (0.66) | LNPEPCA1CA2ALDH1A1MEN1 | |
| SCHEMBL1707473 | 0.70 | NR3C1 (0.70) | TACR1TACR3ALDH1A1MEN1KMT2A |
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-105130893-A | 1-benzyl-6-carbomethoxy methyl tetrahydroisoquinoline derivative, preparation method and application in resisting aggregation of thrombocyte | UNIV DALIAN TECH | 2015-12-09 | — | — | CN | disclosed |
| CN-105130893-A | 1-benzyl-6-carbomethoxy methyl tetrahydroisoquinoline derivative, preparation method and application in resisting aggregation of thrombocyte | UNIV DALIAN TECH | 2015-12-09 | — | — | CN | disclosed |