Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | SMO | Q99835 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 7/20 | 0.33 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6744628 | 0.72 | KDM4E (0.43) | CYP2A6KDM4ENPC1RAB9AMAPT | |
| SCHEMBL29924154 | 0.69 | CYP2A6 (0.61) | CYP2A6METAP2PDK2NOS3NOS1 | |
| SCHEMBL196235 | 0.69 | CYP2A6 (0.61) | CYP2A6METAP2PDK2NOS3NOS1 | |
| SCHEMBL31252534 | 0.69 | CYP2A6 (0.61) | CYP2A6METAP2PDK2NOS3NOS1 | |
| SCHEMBL639798 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL639799 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL639800 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL6744116 | 0.65 | HSP90AA1 (0.31) | — | |
| SCHEMBL21241343 | 0.63 | CYP2A6 (0.55) | CYP2A6METAP2PDK2NOS3NOS1 | |
| SCHEMBL28897793 | 0.63 | ALDH1A1 (0.50) | CYP2A6METAP2PDK2NOS3NOS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20040086983-A1 | Method for producing a heterocyclic compound and an aromatic carboxylic acid having one or more hydroxyl groups, and modified aromatic ring dioxygenase | MARINE BIOTHECHNOLOGY INSTITUTE., LTD. (JP) | 2004-05-06 | — | — | US | disclosed |