Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 8/20 | 0.55 |
| ▸ | THRB | P10828 | 3/20 | 0.55 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | ULK1 | O75385 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MAPK8 | P45983 | 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 | |
|---|---|---|---|---|
| SCHEMBL28591785 | 0.90 | RHEB (0.49) | S1PR3TP53POLBPLA2G10 | |
| SCHEMBL6599254 | 0.79 | MAPT (0.56) | MAPTTHRBTP53ALDH1A1TSHR | |
| SCHEMBL28583277 | 0.78 | ULK1 (0.52) | MAPTULK1ALDH1A1L3MBTL1KMT2A | |
| SCHEMBL6775247 | 0.77 | CCR2 (0.65) | MAPTTHRBTP53ALDH1A1GAA | |
| SCHEMBL28583283 | 0.77 | ULK1 (0.51) | THRBTP53ULK1ALDH1A1GAA | |
| SCHEMBL28600383 | 0.76 | ULK1 (0.50) | MAPTTP53ULK1ALDH1A1L3MBTL1 | |
| SCHEMBL28586707 | 0.76 | ULK1 (0.50) | ULK1ALDH1A1L3MBTL1KMT2APOLB | |
| SCHEMBL3297082 | 0.75 | MAPT (0.53) | MAPTTHRBTP53ALDH1A1TSHR | |
| SCHEMBL4252125 | 0.75 | MAPT (0.53) | MAPTTHRBTP53ALDH1A1TSHR | |
| SCHEMBL7234016 | 0.74 | MAPT (0.55) | MAPTTHRBTP53ALDH1A1GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112358435-A | Substituted aromatic heterocyclic compound, preparation method, ULK1 inhibition and antitumor application | 中国医学科学院医药生物技术研究所 | 2021-02-12 | — | — | CN | claimed |
| CN-112358435-B | Substituted aromatic heterocyclic compound, preparation method, ULK1 inhibition and antitumor application | 中国医学科学院医药生物技术研究所 | 2023-01-10 | — | — | CN | disclosed |
| CN-112358435-A | Substituted aromatic heterocyclic compound, preparation method, ULK1 inhibition and antitumor application | 中国医学科学院医药生物技术研究所 | 2021-02-12 | — | — | CN | disclosed |