Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.51 |
| ▸ | CYP2E1 | P05181 | 4/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 6/20 | 0.41 |
| ▸ | NPC1 | O15118 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.40 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27699382 | 0.81 | CYP2A6 (0.48) | CYP2A6CYP2E1CYP3A4RIPK2CYP2C9 | |
| SCHEMBL27699265 | 0.79 | CYP2A6 (0.46) | CYP2A6CYP2E1CYP3A4ALDH1A1MAPT | |
| SCHEMBL20259879 | 0.75 | CYP2A6 (0.65) | CYP2A6CYP2E1CYP3A4RAB9ANPC1 | |
| SCHEMBL27719861 | 0.74 | CYP2A6 (0.56) | CYP2A6CYP2E1CYP3A4RAB9ANPC1 | |
| SCHEMBL27719999 | 0.74 | CYP2A6 (0.52) | CYP2A6CYP2E1CYP3A4RAB9ANPC1 | |
| SCHEMBL27699427 | 0.74 | CYP2A6 (0.59) | CYP2A6CYP2E1CYP3A4RAB9ANPC1 | |
| SCHEMBL15825417 | 0.70 | CYP2A6 (0.55) | CYP2A6CYP2E1CYP3A4RAB9ANPC1 | |
| SCHEMBL27719858 | 0.69 | CYP2A6 (0.57) | CYP2A6CYP2E1CYP3A4RIPK2CYP2C9 | |
| SCHEMBL2835686 | 0.69 | CYP2A6 (0.52) | CYP2A6CYP2E1CYP3A4RAB9ANPC1 | |
| SCHEMBL27699234 | 0.69 | CYP2A6 (0.52) | CYP2A6CYP2E1CYP3A4RAB9ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101166735-A | Novel oxadiazole derivatives and their medical use | NEUROSEARCH AS (DK) | 2008-04-23 | — | — | CN | disclosed |