Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | CASP1 | P29466 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | CASP7 | P55210 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 3/20 | 0.54 |
| ▸ | CA12 | O43570 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | GRM5 | P41594 | 5/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL16927161 | 0.94 | GRM5 (0.54) | ALDH1A1NPC1TSHRCASP1RAB9A | |
| SCHEMBL13703631 | 0.92 | GRM5 (0.48) | ALDH1A1NPC1TSHRCASP1RAB9A | |
| SCHEMBL7678431 | 0.91 | ESR1 (0.58) | ALDH1A1CA9CA12CA1MEN1 | |
| SCHEMBL2625350 | 0.90 | GRM5 (0.48) | ALDH1A1NPC1TSHRCASP1RAB9A | |
| SCHEMBL84247 | 0.88 | MEN1 (0.58) | ALDH1A1NPC1TSHRCASP1RAB9A | |
| SCHEMBL10000450 | 0.87 | MAPK1 (0.53) | ALDH1A1CA9CA12CA1MEN1 | |
| SCHEMBL2471106 | 0.87 | ESR1 (0.63) | CA9CA12CA1MEN1KMT2A | |
| SCHEMBL13900322 | 0.86 | CA9 (0.55) | ALDH1A1NPC1TSHRCASP1RAB9A | |
| SCHEMBL10000443 | 0.86 | MEN1 (0.56) | ALDH1A1NPC1TSHRCASP1RAB9A | |
| SCHEMBL9967357 | 0.85 | CA9 (0.51) | ALDH1A1HSD17B10CA9CA12CA1 |
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-11001013-B2 | Pre-preg and composite products comprising fibers and a liquid crystal thermoset precursor | ALLOTROPICA TECHNOLOGIES INC. (US) | 2021-05-11 | — | — | US | disclosed |
| US-20190039331-A1 | PRE-PREG AND COMPOSITE PRODUCTS COMPRISING FIBERS AND A LIQUID CRYSTAL THERMOSET PRECURSOR | ALLOTROPICA TECHNOLOGIES INC. | 2019-02-07 | — | — | US | disclosed |