Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.58 |
| ▸ | RAF1 | P04049 | 1/20 | 0.58 |
| ▸ | PIM1 | P11309 | 2/20 | 0.57 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.57 |
| ▸ | RET | P07949 | 3/20 | 0.54 |
| ▸ | PLK4 | O00444 | 2/20 | 0.51 |
| ▸ | PLK1 | P53350 | 2/20 | 0.51 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.51 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.51 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.51 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.51 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.51 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.51 |
| ▸ | DHFR | P00374 | 1/20 | 0.50 |
| ▸ | JAK3 | P52333 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.49 |
| ▸ | FLT3 | P36888 | 1/20 | 0.48 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28655203 | 0.87 | RAF1 (0.59) | AURKARAF1PIM1PDPK1PLK4 | |
| SCHEMBL14521088 | 0.85 | FLT3 (0.57) | AURKARAF1PIM1PDPK1PLK4 | |
| SCHEMBL14521057 | 0.84 | PDPK1 (0.54) | AURKARAF1PIM1PDPK1PLK4 | |
| SCHEMBL14521053 | 0.83 | PDPK1 (0.53) | AURKARAF1PIM1PDPK1PLK4 | |
| SCHEMBL14521033 | 0.83 | NPC1 (0.60) | AURKARAF1PIM1PDPK1RET | |
| SCHEMBL14521087 | 0.83 | PDPK1 (0.55) | AURKARAF1PIM1PDPK1PSEN1 | |
| SCHEMBL20710199 | 0.83 | PDPK1 (0.49) | AURKARAF1PDPK1RETNPC1 | |
| SCHEMBL14521098 | 0.82 | NPC1 (0.52) | AURKARAF1PIM1PDPK1RET | |
| SCHEMBL14521054 | 0.82 | XDH (0.52) | AURKARAF1PIM1PDPK1NPC1 | |
| SCHEMBL14521055 | 0.82 | CSNK1D (0.54) | AURKARAF1PDPK1RETDHFR |
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-107868087-B | Method for preparing pyrroloindole derivatives | 浙江大学 | 2020-03-24 | — | — | CN | disclosed |
| CN-105837493-A | A synthetic method of Nintedanib and an intermediate of Nintedanib | 东南大学 | 2016-08-10 | — | — | CN | disclosed |