Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.52 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | HTR7 | P34969 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL4603527 | 1.00 | ESR2 (0.52) | ESR2ALDH1A1TSHRHPGDNPC1 | |
| Tannin Pyrogallol SCHEMBL28281926 | 0.97 | CA12 (0.55) | ESR2ALDH1A1TSHRHPGDNPC1 | |
| SCHEMBL3294993 | 0.97 | CA12 (0.55) | ESR2ALDH1A1TSHRHPGDNPC1 | |
| SCHEMBL616 | 0.97 | ESR2 (0.54) | ESR2ALDH1A1TSHRHPGDNPC1 | |
| SCHEMBL29706107 | 0.97 | ESR2 (0.54) | ESR2ALDH1A1TSHRHPGDNPC1 | |
| Hydrogen Sulfide SCHEMBL27694678 | 0.95 | CA12 (0.53) | ESR2ALDH1A1TSHRHPGDNPC1 | |
| Water SCHEMBL8948779 | 0.94 | ESR2 (0.52) | ESR2ALDH1A1TSHRHPGDNPC1 | |
| Bromide SCHEMBL1925857 | 0.94 | ESR2 (0.52) | ESR2ALDH1A1TSHRHPGDNPC1 | |
| Ammonia Solution, Strong SCHEMBL19032131 | 0.94 | ESR2 (0.52) | ESR2ALDH1A1TSHRHPGDNPC1 | |
| Iodide SCHEMBL31053161 | 0.94 | ESR2 (0.52) | ESR2ALDH1A1TSHRHPGDNPC1 |
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-2008063572-A2 | METHOD FOR STORING HYDROGEN USING NOVEL CARBON-BASED HIGH CAPACITY STORAGE MATERIALS | ALGODIGN, LLC (US) | 2008-05-29 | — | — | WO | disclosed |