Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | GALR2 | O43603 | 1/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | XBP1 | P17861 | 1/20 | 0.41 |
| ▸ | CCR6 | P51684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 2/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28510516 | 0.91 | ALDH1A1 (0.44) | ALDH1A1MAPK1POLBSMN1; SMN2NPSR1 | |
| SCHEMBL29133283 | 0.85 | WDR5 (0.40) | ALDH1A1MAPK1POLBSMN1; SMN2NPSR1 | |
| SCHEMBL28973029 | 0.85 | MCHR1 (0.38) | ALDH1A1MAPK1POLBSMN1; SMN2NPSR1 | |
| SCHEMBL24251673 | 0.84 | ALDH1A1 (0.44) | ALDH1A1MAPK1HTTPOLBSMN1; SMN2 | |
| SCHEMBL17490379 | 0.83 | NPSR1 (0.46) | ALDH1A1HTTPOLBSMN1; SMN2NPSR1 | |
| SCHEMBL29389430 | 0.81 | NPSR1 (0.46) | ALDH1A1HTTPOLBSMN1; SMN2NPSR1 | |
| SCHEMBL24251729 | 0.81 | NPSR1 (0.46) | ALDH1A1HTTPOLBSMN1; SMN2NPSR1 | |
| SCHEMBL24251659 | 0.80 | ALDH1A1 (0.44) | ALDH1A1MAPK1HTTPOLBSMN1; SMN2 | |
| SCHEMBL18978915 | 0.75 | ALDH1A1 (0.40) | ALDH1A1POLBSMN1; SMN2NPSR1GALR2 | |
| SCHEMBL28973006 | 0.75 | ALDH1A1 (0.45) | ALDH1A1MAPK1HTTPOLBSMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |