Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 0.38 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.37 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.37 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6959431 | 0.80 | CA1 (0.47) | LMNAHDAC6PTGS1ALOX15 | |
| SCHEMBL5865483 | 0.79 | CYP1A2 (0.50) | PTGS1 | |
| SCHEMBL5865496 | 0.79 | CA1 (0.48) | LMNAHDAC6PTGS1ALOX15 | |
| SCHEMBL28218668 | 0.71 | TSHR (0.54) | LMNASMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL28957164 | 0.71 | SMN1; SMN2 (0.54) | LMNASMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL5865455 | 0.69 | CA1 (0.33) | HRH1PTGS1PDE10A | |
| SCHEMBL6977100 | 0.69 | KDM4E (0.31) | HRH1LMNASMN1; SMN2NPC1RAB9A | |
| SCHEMBL5865512 | 0.68 | — | — | |
| SCHEMBL6957521 | 0.68 | PDPK1 (0.42) | LMNAHDAC6PTGS1ALOX15 | |
| SCHEMBL28026150 | 0.68 | KDM4E (0.40) | LMNASMN1; SMN2ALDH1A1MAPK1PTGS1 |
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-115093373-A | 1, 5-disubstituted-3-fluoroalkyl-1, 2, 4-triazole compound and preparation method and application thereof | 江苏省中国科学院植物研究所 | 2022-09-23 | — | — | CN | disclosed |