Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | S100A4 | P26447 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | STS | P08842 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.36 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.36 |
| ▸ | PRKCI | P41743 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9548071 | 0.85 | PTGER4 (0.45) | CYP2A6FFAR4MAPTRAB9AS100A4 | |
| SCHEMBL11893905 | 0.85 | SMN1; SMN2 (0.46) | ALDH1A1SMN1; SMN2PKMPOLB | |
| SCHEMBL11809330 | 0.83 | ALDH1A1 (0.62) | ALDH1A1CYP2A6FFAR4MAPTRAB9A | |
| SCHEMBL22015599 | 0.81 | CA2 (0.47) | ALDH1A1CYP2A6FFAR4MAPTRAB9A | |
| SCHEMBL25067049 | 0.81 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL6970979 | 0.81 | VCAM1 (0.49) | ALDH1A1MAPTSMN1; SMN2CA2STS | |
| SCHEMBL1812673 | 0.80 | PRKCI (0.50) | ALDH1A1CYP2A6MAPTRAB9AS100A4 | |
| SCHEMBL2198935 | 0.78 | SMN1; SMN2 (0.46) | ALDH1A1SMN1; SMN2CA2POLB | |
| SCHEMBL10652398 | 0.78 | PKM (0.49) | ALDH1A1CYP2A6MAPTRAB9AS100A4 | |
| SCHEMBL539699 | 0.77 | ALDH1A1 (0.73) | ALDH1A1MAPTRAB9ANPC1SMN1; SMN2 |
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-2020102574-A1 | THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-05-22 | — | — | WO | disclosed |