Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR6 | P51684 | 2/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.68 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.68 |
| ▸ | APLNR | P35414 | 1/20 | 0.68 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.68 |
| ▸ | TP53 | P04637 | 1/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.68 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.66 |
| ▸ | RAB9A | P51151 | 6/20 | 0.53 |
| ▸ | NPC1 | O15118 | 5/20 | 0.53 |
| ▸ | NCF1 | P14598 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4563202 | 0.84 | NPC1 (0.55) | CCR6SMN1; SMN2CXCR5APLNRLRRK2 | |
| SCHEMBL14075818 | 0.81 | SMN1; SMN2 (1.00) | CCR6SMN1; SMN2CXCR5APLNRLRRK2 | |
| SCHEMBL17987877 | 0.80 | PAX8 (1.00) | CCR6SMN1; SMN2CXCR5APLNRLRRK2 | |
| SCHEMBL31238176 | 0.80 | PAX8 (1.00) | CCR6SMN1; SMN2CXCR5APLNRLRRK2 | |
| SCHEMBL11332741 | 0.76 | RAB9A (0.49) | CCR6SMN1; SMN2CXCR5APLNRLRRK2 | |
| SCHEMBL4916024 | 0.75 | PAX8 (0.68) | CCR6SMN1; SMN2CXCR5APLNRLRRK2 | |
| SCHEMBL12706320 | 0.75 | PAX8 (0.68) | CCR6SMN1; SMN2CXCR5APLNRLRRK2 | |
| SCHEMBL20101098 | 0.72 | MAPT (0.73) | SMN1; SMN2PAX8RAB9ANPC1KMT2A | |
| SCHEMBL4413307 | 0.70 | GAA (0.69) | SMN1; SMN2RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL3273659 | 0.70 | GAA (0.69) | SMN1; SMN2RAB9ANPC1KMT2AMEN1 |
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-2018081612-A1 | COMPOUNDS AND METHODS FOR TREATING CANCER | ACTAVALON, INC. (US) | 2018-05-03 | — | — | WO | disclosed |