Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 SCHEMBL1983361 | 0.87 | DRD2 (0.40) | LTA4HHDAC8CYP2C9PCSK9PTGS2 | |
| Phenylacetylene SCHEMBL28009607 | 0.84 | LTA4H (0.49) | LTA4HSMN1; SMN2 | |
| Phenylacetylene SCHEMBL14312076 | 0.84 | LTA4H (0.35) | LTA4HHDAC8CYP2C9PCSK9PTGS2 | |
| Phenylacetylene SCHEMBL28253007 | 0.83 | HDAC8 (0.41) | HDAC8CYP2C9APPKDM4ENPSR1 | |
| Phenylacetylene SCHEMBL28766748 | 0.83 | KDM4E (0.41) | HDAC8CYP2C9APPKDM4ESMN1; SMN2 | |
| Phenylacetylene SCHEMBL2832826 | 0.82 | SIGMAR1 (0.56) | SMN1; SMN2 | |
| Phenylacetylene SCHEMBL1331408 | 0.82 | — | — | |
| Phenylacetylene SCHEMBL4297769 | 0.82 | — | — | |
| Phenylacetylene SCHEMBL1331398 | 0.82 | — | — | |
| Phenylacetylene SCHEMBL1331558 | 0.82 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102051184-B | Symmetrical discotic liquid crystal molecule taking pyrene as rigid core and preparation method thereof | UNIV BEIJING SCIENCE & TECH | 2013-04-03 | — | — | CN | claimed |
| CN-102051184-B | Symmetrical discotic liquid crystal molecule taking pyrene as rigid core and preparation method thereof | UNIV BEIJING SCIENCE & TECH | 2013-04-03 | — | — | CN | disclosed |
| CN-102051184-A | Symmetrical discotic liquid crystal molecule taking pyrene as rigid core and preparation method thereof | UNIV BEIJING SCIENCE & TECH | 2011-05-11 | — | — | CN | disclosed |
| CN-100334084-C | Bi-triazole compound, preparation method and application thereof | UNIV WUHAN (CN) | 2007-08-29 | — | — | CN | disclosed |
| CN-1687059-A | Bi-triazole compound, preparation method and application thereof | UNIV WUHAN (CN) | 2005-10-26 | — | — | CN | disclosed |