Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | IRAK4 | Q9NWZ3 | 6/20 | 0.43 |
| ▸ | IRAK1 | P51617 | 3/20 | 0.42 |
| ▸ | IRAK3 | Q9Y616 | 2/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.41 |
| ▸ | CCNC | P24863 | 2/20 | 0.41 |
| ▸ | CDK8 | P49336 | 2/20 | 0.41 |
| ▸ | CLK1 | P49759 | 2/20 | 0.41 |
| ▸ | CLK2 | P49760 | 2/20 | 0.41 |
| ▸ | CDK7 | P50613 | 2/20 | 0.41 |
| ▸ | CDK9 | P50750 | 2/20 | 0.41 |
| ▸ | CCNH | P51946 | 2/20 | 0.41 |
| ▸ | MNAT1 | P51948 | 2/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.41 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.41 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15508283 | 0.94 | CYP1A2 (0.52) | CYP1A2TDP1IRAK4IRAK1IRAK3 | |
| SCHEMBL18711627 | 0.86 | CYP1A2 (0.45) | CYP1A2TDP1HRH3KCNH2POLB | |
| SCHEMBL736302 | 0.86 | KDM4E (0.53) | CYP1A2TDP1IRAK4IRAK1IRAK3 | |
| SCHEMBL13227538 | 0.86 | KDM4E (0.53) | CYP1A2TDP1IRAK4IRAK1IRAK3 | |
| SCHEMBL13088446 | 0.85 | POLB (0.55) | CYP1A2TDP1HRH3KCNH2POLB | |
| SCHEMBL4550241 | 0.85 | POLB (0.50) | CYP1A2TDP1HRH3KCNH2POLB | |
| SCHEMBL19928661 | 0.84 | CYP1A2 (0.43) | CYP1A2TDP1IRAK4IRAK1IRAK3 | |
| SCHEMBL31397626 | 0.84 | CYP1A2 (0.43) | CYP1A2TDP1IRAK4IRAK1IRAK3 | |
| SCHEMBL27347094 | 0.84 | CYP1A2 (0.43) | CYP1A2TDP1IRAK4IRAK1IRAK3 | |
| SCHEMBL26604639 | 0.83 | IRAK4 (0.42) | CYP1A2TDP1IRAK4IRAK1IRAK3 |
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-104114549-A | Novel pyrrolidine derivatives | HOFFMANN LA ROCHE | 2014-10-22 | — | — | CN | disclosed |