Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL25463682 | 0.80 | TSHR (0.37) | ALDH1A1NPC1GAAPOLBCYP3A4 | |
| SCHEMBL24202163 | 0.77 | GLA (0.39) | ALDH1A1GAAEPHX2 | |
| SCHEMBL7705993 | 0.76 | ALDH1A1 (0.67) | ALDH1A1NPC1CYP17A1CA2 | |
| SCHEMBL25463673 | 0.74 | ALDH1A1 (0.33) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL12696686 | 0.73 | ALDH1A1 (0.41) | ALDH1A1GAAEPHX2 | |
| SCHEMBL19901634 | 0.71 | EPHX2 (0.34) | ALDH1A1EPHX2SMN1; SMN2 | |
| SCHEMBL18409206 | 0.71 | FFAR3 (0.48) | ALDH1A1CA2 | |
| SCHEMBL16000695 | 0.70 | CCR2 (0.37) | ALDH1A1GAAPOLBEPHX2CA2 | |
| SCHEMBL19901636 | 0.69 | KDM4E (0.38) | EPHX2 | |
| SCHEMBL19426667 | 0.69 | EPHX2 (0.42) | EPHX2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-2023288242-A1 | PI3Kα INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2023-01-19 | — | — | WO | disclosed |