Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | LTA4H | P09960 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 SCHEMBL27820600 | 0.90 | LTA4H (0.42) | LMNALTA4HALDH1A1TSHRTDP1 | |
| Phenylacetylene SCHEMBL27820603 | 0.89 | LTA4H (0.42) | LMNALTA4HALDH1A1TSHRTDP1 | |
| Phenylacetylene SCHEMBL27820593 | 0.87 | TSHR (0.43) | LMNALTA4HALDH1A1TSHRTP53 | |
| Phenylacetylene SCHEMBL27820588 | 0.87 | TSHR (0.43) | LMNALTA4HALDH1A1TSHRTP53 | |
| Hexyl Formate SCHEMBL27820594 | 0.87 | TSHR (0.43) | LMNALTA4HALDH1A1TSHRTP53 | |
| Heptyl Formate SCHEMBL27820611 | 0.87 | TSHR (0.43) | LMNALTA4HALDH1A1TSHRTP53 | |
| Phenylacetylene SCHEMBL27463858 | 0.86 | RELA (0.34) | MEN1KMT2ALTA4HALDH1A1TP53 | |
| Biphenyl SCHEMBL28231676 | 0.80 | LMNA (0.41) | MEN1KMT2ALMNALTA4HALDH1A1 | |
| Propylformate SCHEMBL28135007 | 0.79 | KMT2A (0.35) | MEN1KMT2ALMNAALDH1A1 | |
| Phenylacetylene SCHEMBL28324968 | 0.77 | HDAC8 (0.37) | MEN1KMT2ATSHRHDAC8CYP2C9 |
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 |