Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.45 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.44 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CTSB | P07858 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2012766 | 0.88 | ALDH1A1 (0.47) | POLBALDH1A1PDE10ANCOA1NCOA3 | |
| SCHEMBL10651130 | 0.85 | ALDH1A1 (0.45) | POLBALDH1A1PDE10ANCOA1NCOA3 | |
| SCHEMBL30113041 | 0.81 | PDE10A (0.45) | POLBALDH1A1PDE10ANCOA1NCOA3 | |
| SCHEMBL29389125 | 0.80 | RAB9A (0.50) | POLBALDH1A1MEN1KMT2ARAB9A | |
| SCHEMBL2001300 | 0.80 | NPSR1 (0.57) | POLBALDH1A1PDE10ATRPV1MEN1 | |
| SCHEMBL1269240 | 0.80 | RAB9A (0.50) | POLBALDH1A1MEN1KMT2ARAB9A | |
| SCHEMBL1333048 | 0.79 | PDE10A (0.49) | POLBALDH1A1PDE10ANCOA1NCOA3 | |
| SCHEMBL17806134 | 0.76 | PDE10A (0.46) | POLBALDH1A1PDE10ANCOA1NCOA3 | |
| SCHEMBL29141901 | 0.75 | CTSB (0.47) | POLBALDH1A1MEN1KMT2AHTT | |
| SCHEMBL8564975 | 0.75 | PDE10A (0.51) | POLBALDH1A1PDE10ANCOA1NCOA3 |
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-117440945-A | Pyrimidine or pyridine derivative, preparation method thereof and application thereof in pharmacy | 上海和誉生物医药科技有限公司 | 2024-01-23 | — | — | CN | disclosed |
| CN-115836064-A | Triazine derivative with EGFR (epidermal growth factor receptor) inhibitory activity and preparation method and application thereof | 上海和誉生物医药科技有限公司 | 2023-03-21 | — | — | CN | disclosed |
| WO-2022033455-A1 | TRIAZINE DERIVATIVE HAVING EGFR INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海和誉生物医药科技有限公司 | 2022-02-17 | — | — | WO | disclosed |