Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 1/20 | 0.55 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CASP6 | P55212 | 1/20 | 0.49 |
| ▸ | KLK7 | P49862 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | FABP7 | O15540 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29963136 | 0.83 | HSD17B1 (0.76) | HSD17B1HSD17B2HSD17B10CYP1A2SMN1; SMN2 | |
| SCHEMBL1807568 | 0.83 | HSD17B1 (0.55) | HSD17B1HSD17B2HSD17B10CYP1A2ALDH1A1 | |
| SCHEMBL1122275 | 0.83 | HSD17B1 (0.76) | HSD17B1HSD17B2HSD17B10CYP1A2SMN1; SMN2 | |
| SCHEMBL11900180 | 0.83 | CASP6 (0.68) | HSD17B1HSD17B2HSD17B10CYP1A2SMN1; SMN2 | |
| SCHEMBL6746166 | 0.81 | MAPT (0.62) | HSD17B1HSD17B2CYP1A2ALDH1A1POLB | |
| SCHEMBL6138266 | 0.80 | MAPT (0.60) | HSD17B1HSD17B2CYP1A2ALDH1A1POLB | |
| SCHEMBL23518639 | 0.80 | HSD17B1 (0.51) | HSD17B1HSD17B2HSD17B10CYP1A2ALDH1A1 | |
| SCHEMBL24314965 | 0.80 | HSD17B1 (0.51) | HSD17B1HSD17B2HSD17B10CYP1A2SMN1; SMN2 | |
| SCHEMBL8784533 | 0.80 | CASP6 (0.59) | HSD17B1HSD17B2HSD17B10CYP1A2SMN1; SMN2 | |
| SCHEMBL9290256 | 0.79 | CA12 (0.56) | CYP1A2CA12CA1CA9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017156354-A1 | α-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2017-09-14 | — | — | WO | disclosed |