Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 5/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.35 |
| ▸ | PARP4 | Q9UKK3 | 2/20 | 0.35 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.35 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.35 |
| ▸ | PARP16 | Q8N5Y8 | 1/20 | 0.35 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 5/20 | 0.35 |
| ▸ | CA2 | P00918 | 5/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL742375 | 0.80 | CA1 (0.56) | ALDH1A1KMT2APARP10PARP15CA1 | |
| SCHEMBL28690614 | 0.78 | CA1 (0.54) | ALDH1A1KMT2APARP10PARP15CA1 | |
| Ammonia Solution, Strong SCHEMBL31590444 | 0.78 | CA1 (0.54) | ALDH1A1KMT2APARP10PARP15CA1 | |
| SCHEMBL591298 | 0.78 | MAPT (0.61) | ALDH1A1HPGDMAPTKMT2ARAB9A | |
| SCHEMBL3604263 | 0.78 | PARP10 (0.61) | ALDH1A1KMT2APARP10PARP4PARP15 | |
| SCHEMBL3800806 | 0.78 | CA1 (0.38) | KMT2ACA1CA2MEN1TSHR | |
| SCHEMBL11594845 | 0.77 | ELANE (0.47) | ALDH1A1HPGDMAPTKMT2ARAB9A | |
| Ethylene SCHEMBL38650587 | 0.77 | CA1 (0.52) | ALDH1A1KMT2APARP10PARP15CA1 | |
| SCHEMBL272345 | 0.77 | PARP10 (0.58) | ALDH1A1HPGDMAPTKMT2ARAB9A | |
| SCHEMBL9786679 | 0.77 | PARP10 (0.58) | ALDH1A1HPGDMAPTKMT2ARAB9A |
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-119591550-A | Preparation method of molatinib and key intermediate | 沈阳药科大学 | 2025-03-11 | — | — | CN | disclosed |
| CN-107108527-A | Ataxia telangiectasia and Rad 3-Associated (ATR) protein kinase inhibitors | 阿特林制药有限责任公司 | 2017-08-29 | — | — | CN | disclosed |