Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 5/20 | 0.50 |
| ▸ | MMP2 | P08253 | 2/20 | 0.48 |
| ▸ | MMP12 | P39900 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA3 | P07451 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | MELK | Q14680 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | GABRP | O00591 | 1/20 | 0.41 |
| ▸ | GABRD | O14764 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10453876 | 0.93 | MMP3 (0.50) | APPMMP2MMP12CA2CA12 | |
| SCHEMBL6446069 | 0.89 | MMP2 (0.55) | APPMMP2MMP12MELKHRH3 | |
| SCHEMBL10324155 | 0.83 | MMP2 (0.41) | APPMMP2MMP12MELKHRH3 | |
| SCHEMBL9672111 | 0.82 | MMP2 (0.50) | MMP2MMP12MELKHRH3GABRP | |
| SCHEMBL10324028 | 0.79 | MELK (0.56) | MMP2MMP12MELKHRH3ALDH1A1 | |
| SCHEMBL11459291 | 0.78 | APP (0.59) | APPMMP2MMP12MELKHRH3 | |
| SCHEMBL728193 | 0.78 | HTT (0.52) | MMP2MMP12CA2CA12CA9 | |
| SCHEMBL565043 | 0.78 | MMP2 (0.47) | APPMMP2MMP12MELKHRH3 | |
| SCHEMBL78831 | 0.78 | CA2 (0.48) | MMP2MMP12CA2CA12CA3 | |
| SCHEMBL1746428 | 0.78 | LMNA (0.50) | MMP2MMP12MELKHRH3GABRP |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018157800-A1 | MLKL INHIBITORS | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2018-09-07 | — | — | WO | disclosed |
| US-4322432-A | Cyclopropanecarboxylic acid alkynyl esters, processes for producing them, and their use as pesticides | CIBA-GEIGY CORPORATION (US) | 1982-03-30 | — | — | US | disclosed |