Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | MPO | P05164 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28202435 | 0.77 | KDR (0.44) | ALDH1A1KDRRAB9AL3MBTL1CNR2 | |
| SCHEMBL28039277 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CYP2D6ATMMPONPSR1 | |
| SCHEMBL29393410 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CYP2D6ATMMPONPSR1 | |
| SCHEMBL30366498 | 0.76 | ALDH1A1 (0.65) | ALDH1A1CYP2D6ATMMPONPSR1 | |
| SCHEMBL15169389 | 0.74 | KDR (0.56) | ALDH1A1KDRAPPRAB9ALMNA | |
| SCHEMBL15169694 | 0.73 | KDR (0.55) | ALDH1A1KDRAPPRAB9ALMNA | |
| SCHEMBL28816865 | 0.73 | NPC1 (0.47) | CYP2D6MPORAB9AL3MBTL1BACE1 | |
| SCHEMBL7798261 | 0.73 | ALDH1A1 (0.53) | ALDH1A1CYP2D6ATMMPONPSR1 | |
| SCHEMBL26317051 | 0.72 | LTA4H (0.46) | ALDH1A1KDRLTA4HHSP90AA1HSP90AB1 | |
| SCHEMBL28040110 | 0.72 | ALDH1A1 (0.51) | ALDH1A1CYP2D6ATMMPONPSR1 |
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-105541792-A | Polycyclic PI3K inhibitors | XUANZHU PHARMA CO LTD | 2016-05-04 | — | — | CN | disclosed |