Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CTSC | P53634 | 6/20 | 0.33 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28663020 | 0.93 | PSMB8 (0.34) | MAOAMAOBCYP2D6CYP2C9CTSC | |
| SCHEMBL18849672 | 0.93 | PSMB8 (0.34) | MAOAMAOBCYP2D6CYP2C9CTSC | |
| SCHEMBL28663018 | 0.93 | PSMB8 (0.34) | MAOAMAOBCYP2D6CYP2C9CTSC | |
| SCHEMBL18849742 | 0.92 | MAOA (0.34) | MAOAMAOBCYP2D6CYP2C9KDM4E | |
| SCHEMBL18849646 | 0.92 | MAOA (0.34) | MAOAMAOBCYP2D6CYP2C9KDM4E | |
| SCHEMBL18849744 | 0.92 | MAOA (0.34) | MAOAMAOBCYP2D6CYP2C9KDM4E | |
| SCHEMBL18849732 | 0.89 | MAOA (0.35) | MAOAMAOBCYP2D6CYP2C9KDM4E | |
| SCHEMBL18849640 | 0.87 | — | — | |
| SCHEMBL18849645 | 0.85 | PSMB8 (0.34) | MAOAMAOBCYP2D6CYP2C9CTSC | |
| SCHEMBL28641205 | 0.85 | PSMB8 (0.34) | MAOAMAOBCYP2D6CYP2C9CTSC |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017076201-A1 | HCV INHIBITORS, PREPARATION METHOD AND USE THEREOF | 江苏豪森药业集团有限公司 | 2017-05-11 | — | — | WO | disclosed |