Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 7/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 7/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | XBP1 | P17861 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2404313 | 0.83 | CYP19A1 (0.57) | PTGDR2ALDH1A1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL21513332 | 0.83 | HRH3 (0.44) | PTGDR2ALDH1A1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL2404284 | 0.81 | ALDH1A1 (0.49) | PTGDR2ALDH1A1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL2404650 | 0.74 | ALDH1A1 (0.50) | PTGDR2ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL2406691 | 0.73 | ALDH1A1 (0.49) | PTGDR2ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL2403049 | 0.73 | PTGDR2 (0.49) | PTGDR2ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL2404392 | 0.73 | ALDH1A1 (0.49) | PTGDR2ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL14908747 | 0.73 | ALDH1A1 (0.49) | PTGDR2ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL9176504 | 0.69 | TDP1 (0.45) | ALDH1A1MAPTMEN1KMT2ALMNA | |
| SCHEMBL2405525 | 0.69 | DHODH (0.47) | PTGDR2ALDH1A1CYP19A1CYP11B1CYP11B2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112469720-B | Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy | 艾科思莱德制药公司 | 2024-03-29 | — | — | CN | disclosed |
| CN-112469720-A | Dual ATM and DNA-PK inhibitors for use in antitumor therapy | 艾科思莱德制药公司 | 2021-03-09 | — | — | CN | disclosed |