Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.68 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.65 |
| ▸ | MAPT | P10636 | 2/20 | 0.65 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.58 |
| ▸ | RAB9A | P51151 | 3/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.57 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | MDM4 | O15151 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28399871 | 0.85 | KMT2A (0.69) | TP53KMT2ANPSR1HSD17B10ALDH1A1 | |
| SCHEMBL97400 | 0.84 | KMT2A (0.68) | TP53KMT2ANPSR1HSD17B10ALDH1A1 | |
| SCHEMBL23657637 | 0.84 | HDAC1 (0.72) | TP53KMT2ANPSR1HSD17B10ALDH1A1 | |
| SCHEMBL28346556 | 0.84 | KMT2A (0.72) | TP53KMT2ANPSR1HSD17B10ALDH1A1 | |
| SCHEMBL28348690 | 0.84 | KMT2A (0.68) | TP53KMT2ANPSR1HSD17B10ALDH1A1 | |
| SCHEMBL28403540 | 0.81 | F10 (0.77) | TP53KMT2ANPSR1HSD17B10ALDH1A1 | |
| SCHEMBL11440529 | 0.80 | HPGD (0.74) | KMT2ANPSR1HSD17B10ALDH1A1L3MBTL1 | |
| SCHEMBL28348662 | 0.79 | ALDH1A1 (1.00) | TP53KMT2ANPSR1HSD17B10ALDH1A1 | |
| SCHEMBL30608697 | 0.78 | NPC1 (0.70) | TP53KMT2ARAB9APOLBHTT | |
| SCHEMBL651227 | 0.78 | NPC1 (0.70) | TP53KMT2ARAB9APOLBHTT |
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-109369504-B | Preparation method of sulfur-containing 3-methylene isoindoline-1-ketone derivative | 温州大学 | 2020-05-12 | — | — | CN | disclosed |
| CN-107488139-B | Preparation method of sulfur-containing 3-arylmethylene isoindolinone derivative | WENZHOU UNIVERSITY (CN) | 2019-12-10 | — | — | CN | disclosed |