Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 3/20 | 0.38 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 5/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Phenylacetylene SCHEMBL27820588 | 1.00 | TSHR (0.43) | TSHRALDH1A1LMNALTA4HTP53 | |
| Hexyl Formate SCHEMBL27820594 | 1.00 | TSHR (0.43) | TSHRALDH1A1LMNALTA4HTP53 | |
| Heptyl Formate SCHEMBL27820611 | 1.00 | TSHR (0.43) | TSHRALDH1A1LMNALTA4HTP53 | |
| Phenylacetylene SCHEMBL27820603 | 0.98 | LTA4H (0.42) | TSHRALDH1A1LMNALTA4HTP53 | |
| Phenylacetylene SCHEMBL27820600 | 0.94 | LTA4H (0.42) | TSHRALDH1A1LMNALTA4HTP53 | |
| Phenylacetylene SCHEMBL27820592 | 0.87 | MEN1 (0.36) | TSHRALDH1A1LMNALTA4HTP53 | |
| Benzene SCHEMBL28142175 | 0.82 | HCAR2 (0.41) | TSHRALDH1A1LMNATP53 | |
| Hexyl Formate SCHEMBL28202778 | 0.82 | HCAR2 (0.41) | TSHRALDH1A1LMNATP53 | |
| Benzene SCHEMBL27331235 | 0.82 | HCAR2 (0.41) | TSHRALDH1A1LMNATP53 | |
| Phenylacetylene SCHEMBL28009607 | 0.80 | LTA4H (0.49) | TSHRALDH1A1LMNALTA4HTP53 |
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-101941949-B | Triazole heterocyclic compound and synthesis method thereof | UNIV DALIAN TECH | 2012-11-14 | — | — | CN | disclosed |
| CN-101941949-A | Triazole heterocyclic compound and synthesis method thereof | UNIV DALIAN TECH | 2011-01-12 | — | — | CN | disclosed |