Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC16A3 | O15427 | 1/20 | 0.48 |
| ▸ | CTSV | O60911 | 2/20 | 0.46 |
| ▸ | CTSL | P07711 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 3/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | MDH2 | P40926 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | EDNRA | P25101 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28102494 | 0.85 | SLC16A3 (0.53) | SLC16A3CTSVCTSLMAOBALDH1A1 | |
| SCHEMBL27933143 | 0.85 | SLC16A3 (0.53) | SLC16A3CTSVCTSLMAOBALDH1A1 | |
| SCHEMBL13744801 | 0.80 | ALDH1A1 (0.57) | ALDH1A1HPGDKDM4ESMN1; SMN2PKM | |
| SCHEMBL28018447 | 0.79 | P2RY14 (0.53) | SLC16A3CTSVCTSLMAOBALDH1A1 | |
| SCHEMBL28102599 | 0.79 | P2RY14 (0.53) | SLC16A3CTSVCTSLMAOBALDH1A1 | |
| SCHEMBL8202692 | 0.78 | KDM4E (0.64) | SLC16A3CTSVCTSLMAOBALDH1A1 | |
| SCHEMBL6225189 | 0.77 | TUBB4A (0.52) | MAOBKDM4EPKMPDE5APDE4A | |
| SCHEMBL27933159 | 0.77 | MAOB (0.51) | SLC16A3CTSVCTSLMAOBALDH1A1 | |
| SCHEMBL12507245 | 0.76 | KDM4E (0.47) | ALDH1A1HPGDKDM4ESMN1; SMN2PKM | |
| SCHEMBL1448026 | 0.75 | MAOB (0.61) | CTSVCTSLMAOBALDH1A1HPGD |
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-104672136-A | 1-substituted phenanthryl-N-alkyl (acyl)-6, 7-dimethoxy-1, 2, 3, 4-tetrahydroisoquinoline derivative as well as preparation method and purpose thereof | UNIV SHENYANG PHARMACEUTICAL | 2015-06-03 | — | — | CN | disclosed |