Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGAM1 | P18669 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | NQO1 | P15559 | 1/20 | 0.35 |
| ▸ | MPL | P40238 | 4/20 | 0.35 |
| ▸ | NSD2 | O96028 | 1/20 | 0.33 |
| ▸ | MMP14 | P50281 | 1/20 | 0.33 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | ING2 | Q9H160 | 1/20 | 0.31 |
| ▸ | DAPK1 | P53355 | 1/20 | 0.30 |
| ▸ | CTRC | Q99895 | 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 | |
|---|---|---|---|---|
| SCHEMBL16950300 | 0.92 | PGAM1 (0.42) | PGAM1HSD17B10ALDH1A1CASP1CASP7 | |
| SCHEMBL29412224 | 0.92 | HSD17B10 (0.40) | PGAM1HSD17B10ALDH1A1CASP1CASP7 | |
| SCHEMBL7091094 | 0.92 | HSD17B10 (0.40) | PGAM1HSD17B10ALDH1A1CASP1CASP7 | |
| SCHEMBL17005600 | 0.90 | HSD17B10 (0.39) | PGAM1HSD17B10ALDH1A1CASP1CASP7 | |
| SCHEMBL17005598 | 0.90 | HSD17B10 (0.39) | PGAM1HSD17B10ALDH1A1CASP1CASP7 | |
| SCHEMBL11772949 | 0.84 | HSD17B10 (0.40) | PGAM1HSD17B10ALDH1A1CASP1CASP7 | |
| SCHEMBL5207685 | 0.81 | HSD17B10 (0.44) | PGAM1HSD17B10ALDH1A1CASP1CASP7 | |
| SCHEMBL17023240 | 0.81 | PGAM1 (0.31) | PGAM1 | |
| SCHEMBL1890371 | 0.79 | MPL (0.38) | PGAM1HSD17B10ALDH1A1CASP1CASP7 | |
| SCHEMBL8746545 | 0.79 | MPL (0.38) | PGAM1HSD17B10ALDH1A1CASP1CASP7 |
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 |
|---|---|---|---|---|---|---|---|
| US-9966622-B2 | Small organic molecule based flow battery | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2018-05-08 | — | — | US | disclosed |
| US-20150243991-A1 | SMALL ORGANIC MOLECULE BASED FLOW BATTERY | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2015-08-27 | — | — | US | disclosed |