Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 4/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 2/20 | 0.40 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PLK4 | O00444 | 2/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30740563 | 1.00 | CYP1A2 (0.51) | CYP1A2MAPTCYP2C19KMT2APDK2 | |
| SCHEMBL24898308 | 0.79 | POLB (0.34) | PDK2BRD4 | |
| SCHEMBL30211424 | 0.79 | POLB (0.34) | PDK2BRD4 | |
| SCHEMBL30132814 | 0.77 | CYP1A2 (0.53) | CYP1A2MAPTCYP2C19KMT2APDK2 | |
| SCHEMBL25313851 | 0.77 | CYP1A2 (0.53) | CYP1A2MAPTCYP2C19KMT2APDK2 | |
| SCHEMBL14101138 | 0.77 | KMT2A (0.51) | KMT2APDK2SMN1; SMN2 | |
| SCHEMBL24281165 | 0.75 | KMT2A (0.50) | CYP1A2MAPTCYP2C19KMT2AAKR1B1 | |
| SCHEMBL2827536 | 0.74 | CYP1A2 (0.57) | CYP1A2MAPTCYP2C19KMT2AAKR1B1 | |
| SCHEMBL31419571 | 0.73 | BRD4 (0.52) | CYP1A2MAPTCYP2C19KMT2AAKR1B1 | |
| SCHEMBL30463281 | 0.73 | CYP1A2 (0.56) | CYP1A2MAPTCYP2C19KMT2AAKR1B1 |
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 |