Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.48 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30695109 | 1.00 | ALDH1A1 (0.56) | ALDH1A1KMT2AAKR1C3MEN1ATM | |
| SCHEMBL13738645 | 0.82 | ALDH1A1 (0.42) | ALDH1A1KMT2AMEN1ATMTDP1 | |
| SCHEMBL7256438 | 0.81 | ALDH1A1 (0.47) | ALDH1A1KMT2AAKR1C3MEN1ATM | |
| SCHEMBL903214 | 0.78 | ALDH1A1 (0.52) | ALDH1A1KMT2AAKR1C3MEN1ATM | |
| SCHEMBL22476347 | 0.77 | ALDH1A1 (0.50) | ALDH1A1KMT2AMEN1ATMTDP1 | |
| SCHEMBL13531355 | 0.75 | KMT2A (0.55) | ALDH1A1KMT2AMEN1ATMTDP1 | |
| SCHEMBL1828467 | 0.75 | ALDH1A1 (0.43) | ALDH1A1KMT2AMEN1ATMTDP1 | |
| SCHEMBL1042856 | 0.74 | ALDH1A1 (0.59) | ALDH1A1KMT2AAKR1C3MEN1ATM | |
| SCHEMBL5073237 | 0.74 | ALDH1A1 (0.59) | ALDH1A1KMT2AAKR1C3MEN1ATM | |
| Benzophenone SCHEMBL30537001 | 0.74 | ALDH1A1 (1.00) | ALDH1A1KMT2AAKR1C3MEN1ATM |
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-111662235-B | Benzoyl pyridazine derivative and preparation method thereof | 黄淮学院 | 2023-12-22 | — | — | CN | disclosed |
| CN-111662235-A | Benzoyl pyridazine derivative and preparation method thereof | 黄淮学院 | 2020-09-15 | — | — | CN | disclosed |