Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.63 |
| ▸ | MLYCD | O95822 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.44 |
| ▸ | BDKRB1 | P46663 | 3/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CLPP | Q16740 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11955718 | 0.90 | NPSR1 (0.71) | NPSR1MLYCDUSP2CYP3A4CYP2C9 | |
| SCHEMBL13753427 | 0.88 | NPSR1 (0.49) | NPSR1MLYCDDDR1BDKRB1GAA | |
| SCHEMBL13753586 | 0.85 | NPSR1 (0.47) | NPSR1MLYCDDDR1BDKRB1HDAC8 | |
| SCHEMBL13753667 | 0.84 | HPGD (0.49) | NPSR1DDR1 | |
| SCHEMBL13702129 | 0.84 | MLYCD (0.55) | NPSR1MLYCDCES2CYP1A2CYP2C19 | |
| SCHEMBL16261254 | 0.84 | NPSR1 (0.63) | NPSR1MLYCDUSP2CYP3A4CYP2C9 | |
| SCHEMBL13753284 | 0.84 | MLYCD (0.58) | NPSR1MLYCDDDR1BDKRB1TAS1R3 | |
| SCHEMBL12837589 | 0.84 | NPSR1 (0.46) | NPSR1DDR1BDKRB1NOTUMGAA | |
| SCHEMBL13761365 | 0.83 | NPSR1 (0.45) | NPSR1DDR1BDKRB1GAACES2 | |
| SCHEMBL23237358 | 0.83 | NPSR1 (0.61) | NPSR1MLYCDCYP3A4DDR1GAA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230353959-A1 | PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. | 2023-11-02 | — | — | US | disclosed |
| US-20230353959-A1 | PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. | 2023-11-02 | — | — | US | disclosed |
| WO-2023081759-A1 | BIFUNCTIONAL PI3K-ALPHA INHIBITORS AND USES THEREOF | RELAY THERAPEUTICS, INC. (US) | 2023-05-11 | — | — | WO | disclosed |
| WO-2023039532-A1 | PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2023-03-16 | — | — | WO | disclosed |
| WO-2021222556-A1 | PI3K-α INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2021-11-04 | — | — | WO | disclosed |
| US-7576117-B1 | Cyclic amine CCR3 antagonist | TEIJIN LIMITED (JP) | 2009-08-18 | — | — | US | disclosed |
| US-7576117-B1 | Cyclic amine CCR3 antagonist | TEIJIN LIMITED (JP) | 2009-08-18 | — | — | US | disclosed |