Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL1026100 | 0.83 | ALDH1A1 (0.39) | HCAR2TDP1ALDH1A1HPGDTSHR | |
| SCHEMBL28196712 | 0.77 | TDP1 (0.57) | HCAR2TDP1ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL6169849 | 0.76 | MEN1 (0.53) | HCAR2TDP1ALDH1A1HPGDTSHR | |
| SCHEMBL31295775 | 0.76 | ALDH1A1 (0.38) | HCAR2TDP1ALDH1A1HPGDTSHR | |
| SCHEMBL21887822 | 0.75 | TDP1 (0.66) | HCAR2TDP1ALDH1A1HPGDTSHR | |
| SCHEMBL27029927 | 0.75 | KDM5B (0.46) | ALDH1A1MAPK1PKML3MBTL1HSD17B10 | |
| SCHEMBL3543372 | 0.75 | ALDH1A1 (0.47) | HCAR2ALDH1A1HPGDTSHRSMN1; SMN2 | |
| SCHEMBL30151422 | 0.74 | TDP1 (0.53) | HCAR2TDP1ALDH1A1HPGDTSHR | |
| SCHEMBL1919221 | 0.74 | HCAR2 (0.39) | HCAR2TDP1ALDH1A1HPGDTSHR | |
| SCHEMBL28149647 | 0.74 | TDP1 (0.53) | HCAR2TDP1ALDH1A1HPGDTSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-111655688-B | Substituted pyrrolopyridines as ATR inhibitors | 蓝谷制药有限责任公司 | 2023-09-29 | — | — | CN | disclosed |