Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 6/20 | 0.62 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.42 |
| ▸ | CSNK1A1 | P48729 | 2/20 | 0.42 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.42 |
| ▸ | CSNK1G1 | Q9HCP0 | 2/20 | 0.42 |
| ▸ | FGR | P09769 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7706714 | 1.00 | TYMS (0.62) | TYMSADORA2ACSNK1A1CSNK1DCSNK1G1 | |
| SCHEMBL4960210 | 0.79 | TYMS (0.62) | TYMSALDH1A1MCL1CES2BCHE | |
| SCHEMBL4958874 | 0.79 | TYMS (0.62) | TYMSADORA2AALDH1A1MCL1CES2 | |
| SCHEMBL29937612 | 0.79 | TYMS (0.62) | TYMSALDH1A1MCL1CES2BCHE | |
| SCHEMBL7750777 | 0.79 | TYMS (0.62) | TYMSMAOAALDH1A1MCL1CES2 | |
| SCHEMBL6289874 | 0.79 | TYMS (0.62) | TYMSALDH1A1MCL1CES2BCHE | |
| SCHEMBL4960179 | 0.79 | TYMS (0.62) | TYMSALDH1A1MCL1CES2BCHE | |
| SCHEMBL322393 | 0.79 | TYMS (0.62) | TYMSALDH1A1MCL1CES2BCHE | |
| SCHEMBL22580735 | 0.79 | TYMS (0.62) | TYMSALDH1A1MCL1CES2BCHE | |
| 1,8-Naphthalic Anhydride SCHEMBL30415 | 0.78 | TYMS (1.00) | TYMSALDH1A1MCL1CES2BCHE |
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-115197141-B | Fluorescent probe NI-CO-HCYS for cystathionine gamma lyase detection | 中国科学院大连化学物理研究所 | 2024-03-29 | — | — | CN | claimed |
| CN-115197141-B | Fluorescent probe NI-CO-HCYS for cystathionine gamma lyase detection | 中国科学院大连化学物理研究所 | 2024-03-29 | — | — | CN | disclosed |
| CN-114426519-B | Fluorescent probe NI-CO-CYS for cystathionine beta lyase detection | 中国科学院大连化学物理研究所 | 2023-09-12 | — | — | CN | disclosed |