Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| Acrylonitrile SCHEMBL11507525 | 0.83 | — | — | |
| Acrylonitrile SCHEMBL11493140 | 0.81 | ALDH1A1 (0.39) | ALDH1A1TSHRCYP1A2TDP1 | |
| Acrylonitrile SCHEMBL388549 | 0.80 | — | — | |
| Acrylonitrile SCHEMBL28248586 | 0.80 | ALDH1A1 (0.56) | ALDH1A1TSHRTDP1 | |
| SCHEMBL28023093 | 0.80 | ALDH1A1 (0.39) | ALDH1A1TSHRTDP1CHRM1CHRM2 | |
| Acrylonitrile SCHEMBL28054269 | 0.78 | — | — | |
| Acrylonitrile SCHEMBL28032765 | 0.78 | — | — | |
| Acrylonitrile SCHEMBL27932458 | 0.78 | ALDH1A1 (0.53) | ALDH1A1TSHRTDP1 | |
| Acrylonitrile SCHEMBL11122694 | 0.78 | — | — | |
| Acetonitrile SCHEMBL1781035 | 0.77 | — | — |
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-5023230-A | Oxide superconductors encased in pan-derived carbon matrix | HERCULES INCORPORATED (US) | 1991-06-11 | — | — | US | disclosed |
| EP-0222343-A2 | Recording material | FUJI PHOTO FILM CO., LTD. (JP) | 1987-05-20 | — | — | EP | disclosed |