Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 4/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 4/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL28027989 | 0.71 | TSHR (0.47) | SLC6A2SLC6A4SLC6A3MAPK1ALDH1A1 | |
| SCHEMBL28028609 | 0.69 | MEN1 (0.53) | ALDH1A1HTR2AMEN1KMT2AGAA | |
| SCHEMBL7797244 | 0.67 | FADS1 (0.61) | MAPK1ALDH1A1POLBMGLLKDM4E | |
| SCHEMBL10656878 | 0.66 | CYP3A4 (0.51) | SLC6A2SLC6A4SLC6A3ALDH1A1KDM4E | |
| SCHEMBL4644950 | 0.65 | HTR7 (0.48) | ALDH1A1POLBMGLLKDM4EATM | |
| SCHEMBL28027961 | 0.65 | TSHR (0.44) | KMT2AMAPTHPGD | |
| SCHEMBL13780085 | 0.65 | ALDH1A1 (0.55) | ALDH1A1POLBMGLLATMDRD2 | |
| SCHEMBL11618119 | 0.65 | SLC6A2 (0.53) | SLC6A2SLC6A4SLC6A3MAPK1ADRA1A | |
| SCHEMBL25405612 | 0.64 | CHRNB2 (0.52) | — | |
| SCHEMBL4024969 | 0.63 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3MAPK1POLB |
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-104854108-A | Pyrrolotriazinone derivatives as pi3k inhibitors | ALMIRALL SA | 2015-08-19 | — | — | CN | disclosed |