Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCC1 | P33527 | 1/20 | 0.55 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.50 |
| ▸ | KDM6B | O15054 | 1/20 | 0.49 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.46 |
| ▸ | CDC25B | P30305 | 1/20 | 0.46 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.46 |
| ▸ | HCAR3 | P49019 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL11216984 | 0.95 | ABCC1 (0.54) | ABCC1PTPN2PTPN1KDM6BKDM4C | |
| SCHEMBL7561733 | 0.94 | ABCC1 (0.52) | ABCC1PTPN2PTPN1KDM6BKDM4C | |
| SCHEMBL7311219 | 0.84 | ALDH1A1 (0.59) | KMT2AMEN1NPC1RAB9AALDH1A1 | |
| SCHEMBL4958864 | 0.78 | ABCC1 (0.60) | ABCC1PTPN2PTPN1KMT2AMEN1 | |
| SCHEMBL5103381 | 0.77 | ABCC1 (0.63) | ABCC1PTPN2PTPN1KMT2AMEN1 | |
| SCHEMBL3907260 | 0.76 | PTPN2 (0.56) | ABCC1PTPN2PTPN1KMT2AMEN1 | |
| SCHEMBL13858935 | 0.75 | TSHR (0.57) | ALDH1A1CYP1A2CYP2C9CYP2C19GAA | |
| SCHEMBL15635135 | 0.74 | ABCC1 (0.51) | ABCC1PTPN2KDM6BKDM4CPTPN6 | |
| SCHEMBL9410623 | 0.74 | NPC1 (0.56) | KMT2AMEN1NPC1RAB9AALDH1A1 | |
| SCHEMBL3580345 | 0.73 | PTPN2 (0.61) | ABCC1PTPN2PTPN1KMT2AMEN1 |
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-106167497-A | Heteroaryl hybar X analog derivative and application thereof | 浙江大学 | 2016-11-30 | — | — | CN | disclosed |