Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 3/20 | 0.64 |
| ▸ | IL6 | P05231 | 3/20 | 0.64 |
| ▸ | CYP24A1 | Q07973 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | MAOB | P27338 | 3/20 | 0.54 |
| ▸ | CRHBP | P24387 | 1/20 | 0.52 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28031446 | 1.00 | TNF (0.64) | TNFIL6CYP24A1ALDH1A1MAPT | |
| SCHEMBL28031993 | 0.90 | TNF (0.69) | TNFIL6CYP24A1ALDH1A1MAPT | |
| SCHEMBL28031997 | 0.90 | TNF (0.69) | TNFIL6CYP24A1ALDH1A1MAPT | |
| SCHEMBL17899573 | 0.82 | CRHBP (0.76) | ALDH1A1MAPTPOLBKMT2AMAOB | |
| SCHEMBL28032005 | 0.81 | CYP24A1 (0.65) | TNFIL6CYP24A1ALDH1A1MAPT | |
| SCHEMBL1524342 | 0.78 | ALDH1A1 (0.61) | ALDH1A1MAPTPOLBKMT2AMAOB | |
| SCHEMBL1524343 | 0.78 | ALDH1A1 (0.61) | ALDH1A1MAPTPOLBKMT2AMAOB | |
| SCHEMBL6962654 | 0.78 | MAPT (0.81) | ALDH1A1MAPTPOLBKMT2AMAOB | |
| SCHEMBL14119823 | 0.77 | TNF (1.00) | TNFIL6CYP24A1ALDH1A1MAPT | |
| SCHEMBL14119825 | 0.77 | TNF (1.00) | TNFIL6CYP24A1ALDH1A1MAPT |
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-104829440-B | A kind of dibenzyl alkenyl cyclopentanone of unilateral trifluoromethyl substitution that treating the inflammatory diseases such as acute lung injury | 温州医科大学 | 2018-08-21 | — | — | CN | disclosed |
| CN-104829440-A | Single-side trifluoromethyl-substituted dibenzylalkenyl cyclopentanone capable of treating acute lung injury and like inflammatory diseases | UNIV WENZHOU MEDICAL | 2015-08-12 | — | — | CN | disclosed |