Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFD | P00746 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.42 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | GGT1 | P19440 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL31268471 | 0.85 | CFD (0.51) | CFDKDM4EGLAMAPTPOLB | |
| SCHEMBL16427664 | 0.85 | CFD (0.51) | CFDKDM4EGLAMAPTPOLB | |
| SCHEMBL3453790 | 0.82 | TSHR (0.58) | CFDKDM4EALDH1A1TSHRPTGS1 | |
| SCHEMBL26944947 | 0.81 | ALDH1A1 (0.46) | CFDKDM4EMAPTPOLBHTT | |
| SCHEMBL8681017 | 0.81 | ALDH1A1 (0.55) | CFDKDM4EMAPTPOLBMAPK1 | |
| SCHEMBL197729 | 0.81 | CFD (0.50) | CFDKDM4EMAPTPOLBMAPK1 | |
| SCHEMBL3654634 | 0.79 | CFD (0.49) | CFDKDM4EMAPTPOLBALDH1A1 | |
| SCHEMBL31268445 | 0.79 | CYP3A4 (0.47) | CFDKDM4EALDH1A1TSHRPTGS1 | |
| SCHEMBL28382964 | 0.79 | KDM4E (0.61) | KDM4EGLAMAPTPOLBNPC1 | |
| SCHEMBL31268447 | 0.79 | LMNA (0.52) | CFDKDM4EMAPTNPC1MAPK1 |
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-118994042-A | 9- (1- (2- (2-Acetoxyl) phenyl) -tetrazole) -andrographolide derivative, and preparation method and application thereof | 江西省中医药研究院 | 2024-11-22 | — | — | CN | disclosed |
| WO-2016004899-A1 | PROCESS FOR MAKING TETRACYCLIC HETEROCYCLE COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2016-01-14 | — | — | WO | disclosed |