Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CASP6 | P55212 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31677515 | 0.84 | IDO1 (0.39) | IDO1PGR | |
| SCHEMBL7825677 | 0.77 | PGR (0.50) | PGR | |
| SCHEMBL2827536 | 0.75 | CYP1A2 (0.57) | IDO1PGRCYP1A2MAPTCYP2C19 | |
| SCHEMBL29860253 | 0.75 | PGR (0.44) | PGRCYP1A2MAPTCYP2C19 | |
| SCHEMBL24898308 | 0.72 | POLB (0.34) | IDO1PGRPOLBCASP6 | |
| SCHEMBL30211424 | 0.72 | POLB (0.34) | IDO1PGRPOLBCASP6 | |
| SCHEMBL24898318 | 0.71 | PKM (0.35) | — | |
| SCHEMBL17950681 | 0.71 | KMT2A (0.66) | PGRCYP1A2MAPTCYP2C19KMT2A | |
| SCHEMBL25115048 | 0.69 | IDO1 (0.43) | IDO1PGRCYP1A2MAPTCYP2C19 | |
| SCHEMBL30548920 | 0.69 | IDO1 (0.43) | IDO1CYP1A2MAPTCYP2C19KMT2A |
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 2 patents. 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 |
| CN-108299137-B | Selective fluorination method of isatin hydrazone compound | 中南大学 | 2020-04-14 | — | — | CN | disclosed |