Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HCAR1 | Q9BXC0 | 2/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.44 |
| ▸ | PCSK9 | Q8NBP7 | 2/20 | 0.43 |
| ▸ | SSTR5 | P35346 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CACNA1B | Q00975 | 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 | |
|---|---|---|---|---|
| SCHEMBL28629444 | 0.93 | CASP3 (0.53) | CASP3HCAR1HSD17B1HSD17B2PCSK9 | |
| SCHEMBL28630602 | 0.91 | HPGD (0.53) | CASP3TP53SSTR5MAPTMEN1 | |
| SCHEMBL28621580 | 0.85 | ALDH1A1 (0.52) | CASP3TP53HCAR1SSTR5MAPT | |
| SCHEMBL28636610 | 0.83 | AKR1C3 (0.52) | TP53MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL28626050 | 0.81 | HSD17B1 (0.49) | CASP3TP53LMNAHSD17B1HSD17B2 | |
| SCHEMBL28621873 | 0.80 | HSD17B1 (0.48) | CASP3TP53LMNAHSD17B1HSD17B2 | |
| SCHEMBL28621577 | 0.78 | POLB (0.46) | TP53MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL28621589 | 0.76 | CASP3 (0.56) | CASP3LMNAHCAR1PCSK9NPC1 | |
| SCHEMBL28621593 | 0.75 | AKR1B10 (0.44) | CASP3HSD17B1HSD17B2PCSK9MAPT | |
| SCHEMBL28641065 | 0.73 | TP53 (0.67) | TP53MAPTRAB9AKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108715589-B | Coumarin derivative used as caspase-3 activator and application thereof | 华侨大学 | 2021-04-20 | — | — | CN | disclosed |