Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.59 |
| ▸ | CYP2E1 | P05181 | 4/20 | 0.59 |
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.58 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL2835686 | 0.90 | CYP2A6 (0.52) | CYP2A6CYP2E1NPC1RAB9ANLRP3 | |
| SCHEMBL15825417 | 0.86 | CYP2A6 (0.55) | CYP2A6CYP2E1NPC1RAB9ANLRP3 | |
| SCHEMBL10775340 | 0.84 | NPC1 (0.77) | NPC1RAB9ANLRP3CYP3A4ALDH1A1 | |
| SCHEMBL27699234 | 0.84 | CYP2A6 (0.52) | CYP2A6CYP2E1NPC1RAB9ANLRP3 | |
| SCHEMBL27719703 | 0.84 | MEN1 (0.54) | CYP2A6CYP2E1NPC1RAB9ANLRP3 | |
| SCHEMBL27719699 | 0.84 | CYP2A6 (0.52) | CYP2A6CYP2E1NPC1RAB9ANLRP3 | |
| SCHEMBL27812074 | 0.83 | KMO (0.59) | CYP2A6CYP2E1NPC1RAB9ANLRP3 | |
| SCHEMBL27812580 | 0.83 | CYP2A6 (0.51) | CYP2A6CYP2E1NPC1RAB9ANLRP3 | |
| SCHEMBL28692512 | 0.81 | NPC1 (0.68) | CYP2A6CYP2E1NPC1RAB9ANLRP3 | |
| SCHEMBL17279832 | 0.81 | RAB9A (0.67) | NPC1RAB9ANLRP3ALDH1A1FYN |
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 |
|---|---|---|---|---|---|---|---|
| CN-101166735-A | Novel oxadiazole derivatives and their medical use | NEUROSEARCH AS (DK) | 2008-04-23 | — | — | CN | claimed |
| CN-101166735-A | Novel oxadiazole derivatives and their medical use | NEUROSEARCH AS (DK) | 2008-04-23 | — | — | CN | disclosed |