Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | NOS3 | P29474 | 2/20 | 0.35 |
| ▸ | NOS1 | P29475 | 2/20 | 0.35 |
| ▸ | NOS2 | P35228 | 2/20 | 0.35 |
| ▸ | GPBAR1 | Q8TDU6 | 6/20 | 0.33 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | PDE2A | O00408 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MPL | P40238 | 1/20 | 0.32 |
| ▸ | APAF1 | O14727 | 1/20 | 0.32 |
| ▸ | TDP2 | O95551 | 1/20 | 0.32 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | GALK1 | P51570 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | CASP6 | P55212 | 1/20 | 0.32 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3323506 | 0.79 | TSHR (0.41) | IDO1NOS3NOS2PDE2AALDH1A1 | |
| SCHEMBL2669995 | 0.75 | POLB (0.43) | IDO1NOS3NOS2PDE2AALDH1A1 | |
| SCHEMBL30214898 | 0.75 | POLB (0.43) | IDO1NOS3NOS2PDE2AALDH1A1 | |
| SCHEMBL4468976 | 0.75 | GAA (0.36) | GAAALDH1A1KMT2AAPAF1TDP2 | |
| SCHEMBL442808 | 0.73 | ALDH1A1 (0.50) | IDO1NOS3NOS2GAAPDE2A | |
| SCHEMBL9234432 | 0.72 | PDE2A (0.42) | IDO1GPBAR1GAAPDE2AMPL | |
| SCHEMBL11695402 | 0.71 | KIF11 (0.38) | IDO1NOS3NOS2GAAPDE2A | |
| SCHEMBL10185017 | 0.71 | ALDH1A1 (0.42) | NOS3NOS2GAAALDH1A1KMT2A | |
| SCHEMBL21603365 | 0.69 | CA1 (0.47) | IDO1NOS3NOS2GAAPDE2A | |
| SCHEMBL29778868 | 0.69 | CA1 (0.47) | IDO1NOS3NOS2GAAPDE2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023288242-A1 | PI3Kα INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2023-01-19 | — | — | WO | disclosed |