Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.49 |
| ▸ | MAPT | P10636 | 6/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 5/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | ULK1 | O75385 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.37 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.37 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28594454 | 0.87 | ALDH1A1 (0.46) | ALDH1A1LMNAKMT2ANPSR1KDM4E | |
| SCHEMBL28603627 | 0.83 | ULK1 (0.53) | ALDH1A1LMNAKMT2ANPSR1KDM4E | |
| SCHEMBL28591650 | 0.79 | ALDH1A1 (0.48) | ALDH1A1LMNAKMT2ANPSR1KDM4E | |
| SCHEMBL28585757 | 0.78 | ALDH1A1 (0.50) | ALDH1A1LMNAKMT2ANPSR1KDM4E | |
| SCHEMBL28595310 | 0.77 | KDM4E (0.46) | ALDH1A1LMNAKMT2ANPSR1KDM4E | |
| SCHEMBL28603475 | 0.74 | PRKDC (0.46) | ALDH1A1LMNAKMT2ANPSR1KDM4E | |
| SCHEMBL28595261 | 0.73 | KDM4E (0.48) | ALDH1A1LMNAKMT2ANPSR1KDM4E | |
| SCHEMBL30169493 | 0.72 | ULK1 (0.39) | ALDH1A1LMNAKDM4EMAPTRAB9A | |
| SCHEMBL28917162 | 0.72 | ULK1 (0.70) | ALDH1A1LMNAKMT2ANPSR1KDM4E | |
| SCHEMBL28585741 | 0.72 | ULK1 (0.39) | ALDH1A1LMNAKDM4EMAPTRAB9A |
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 |