Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1051047 | 0.86 | TDP1 (0.59) | ALDH1A1TDP1GABRA1MAPK1CYP1A2 | |
| SCHEMBL1051049 | 0.86 | TDP1 (0.59) | ALDH1A1TDP1GABRA1MAPK1CYP1A2 | |
| SCHEMBL24967421 | 0.85 | ALDH1A1 (0.50) | ALDH1A1TDP1GABRA1MAPK1CYP1A2 | |
| SCHEMBL19063220 | 0.83 | ALDH1A1 (0.49) | ALDH1A1TDP1GABRA1MAPK1CYP1A2 | |
| SCHEMBL24966942 | 0.81 | MAPK1 (0.62) | ALDH1A1TDP1GABRA1MAPK1CYP1A2 | |
| SCHEMBL24966945 | 0.81 | ALDH1A1 (0.47) | ALDH1A1TDP1GABRA1MAPK1CYP1A2 | |
| SCHEMBL24967609 | 0.81 | ALDH1A1 (0.47) | ALDH1A1TDP1GABRA1MAPK1CYP1A2 | |
| SCHEMBL6796081 | 0.80 | LMNA (0.40) | TDP1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL14803831 | 0.79 | ALDH1A1 (0.44) | ALDH1A1TDP1GABRA1MAPK1CYP1A2 | |
| SCHEMBL24967014 | 0.78 | MAPK1 (0.49) | ALDH1A1TDP1GABRA1MAPK1CYP1A2 |
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-103649089-A | Pyrrolotriazinones as PI3K inhibitors | ALMIRALL SA | 2014-03-19 | — | — | CN | disclosed |