Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27779125 | 0.82 | ALDH1A1 (0.48) | ALDH1A1HPGDKDM4EGLAPOLB | |
| SCHEMBL30783917 | 0.82 | KMT2A (0.50) | ALDH1A1HPGDKDM4EMEN1CYP1A2 | |
| SCHEMBL28451133 | 0.79 | ALDH1A1 (0.46) | ALDH1A1HPGDPOLBP2RX7MEN1 | |
| SCHEMBL28522500 | 0.79 | CYP1A2 (0.53) | HPGDMEN1CYP1A2CYP2C19KMT2A | |
| SCHEMBL28522503 | 0.79 | CYP1A2 (0.53) | HPGDMEN1CYP1A2CYP2C19KMT2A | |
| SCHEMBL590875 | 0.78 | CACNA1I (0.44) | ALDH1A1POLBNPC1RAB9AHTR4 | |
| SCHEMBL28001258 | 0.78 | MEN1 (0.56) | ALDH1A1HPGDKDM4EMEN1CYP1A2 | |
| SCHEMBL25363319 | 0.78 | WDR5 (0.41) | ALDH1A1KDM4EGLAGAAKMT2A | |
| SCHEMBL30784312 | 0.77 | CYP1A2 (0.55) | ALDH1A1HPGDGLAMEN1CYP1A2 | |
| SCHEMBL31330617 | 0.77 | RAB9A (0.49) | ALDH1A1HPGDKDM4EGAAP2RX7 |
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-2024026424-A1 | QUINAZOLINONE DERIVATIVES AS AND RELATED USES | BLACK DIAMOND THERAPEUTICS, INC. (US) | 2024-02-01 | — | — | WO | disclosed |