Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | BCL2 | P10415 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 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 | |
|---|---|---|---|---|
| SCHEMBL8566370 | 0.82 | BCL2 (0.35) | TP53BCL2TRPA1MGLLSIGMAR1 | |
| SCHEMBL6616564 | 0.81 | TP53 (0.44) | TP53BCL2TRPA1MGLLSIGMAR1 | |
| SCHEMBL8848551 | 0.80 | IDO1 (0.50) | IDO1 | |
| SCHEMBL28213921 | 0.78 | MAOB (0.47) | TP53 | |
| SCHEMBL15066889 | 0.78 | IDO1 (0.48) | SIGMAR1CYP1A2SMN1; SMN2LMNAIDO1 | |
| SCHEMBL27259067 | 0.78 | IDO1 (0.48) | IDO1 | |
| Hydrogen Peroxide SCHEMBL11520377 | 0.78 | TP53 (0.63) | TP53BCL2TRPA1MGLLSIGMAR1 | |
| Methyl Alcohol SCHEMBL28745884 | 0.78 | TP53 (0.55) | TP53BCL2TRPA1MGLLSIGMAR1 | |
| SCHEMBL13905068 | 0.78 | BCL2 (0.47) | TP53BCL2MGLLCYP1A2SMN1; SMN2 | |
| SCHEMBL3838986 | 0.78 | TP53 (0.41) | TP53BCL2TRPA1MGLLSIGMAR1 |
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-1028174-C | Process and intermediates for preparing compounds having disubstituted acetylene moiety and retinoic acid-like biological activity | ALLERGAN INC (US) | 1995-04-12 | — | — | CN | disclosed |
| CN-1050385-A | Preparation has bioactive method and the intermediate that has the compound of disubstituted acetylene moiety of retinoic acid-like | ALLERGAN INC (US) | 1991-04-03 | — | — | CN | disclosed |