Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | GRM5 | P41594 | 7/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3353927 | 0.76 | CYP2A6 (0.56) | CYP2A6NPC1RAB9ASMN1; SMN2POLB | |
| SCHEMBL352291 | 0.74 | GRM5 (0.65) | GRM5KCNH2CYP1A2 | |
| SCHEMBL5327160 | 0.74 | CYP2A6 (0.58) | CYP2A6GRM5NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3347043 | 0.74 | CYP2A6 (0.43) | CYP2A6NPC1RAB9ATP53PKM | |
| SCHEMBL5325222 | 0.72 | CYP2A6 (0.47) | CYP2A6GRM5POLBCYP1A2 | |
| SCHEMBL18253195 | 0.72 | CYP2A6 (0.60) | CYP2A6NPC1RAB9ASMN1; SMN2POLB | |
| SCHEMBL6962695 | 0.71 | PSMB8 (0.53) | GRM5KCNH2NPC1RAB9ATP53 | |
| Methyl Alcohol SCHEMBL28902013 | 0.70 | GRM5 (0.67) | GRM5KCNH2PKMCYP1A2 | |
| SCHEMBL17687570 | 0.68 | CYP19A1 (0.64) | NPC1RAB9ATP53PKMSMN1; SMN2 | |
| SCHEMBL26080884 | 0.68 | CYP2A6 (0.55) | CYP2A6NPC1RAB9ASMN1; SMN2POLB |
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-2007134421-A1 | 2-VINYL INDOLES, PYRIDO AND AZEPINO INDOLE DERIVATIVES, 2-ALKYNYL INDOLES, 2-ALKYNYL BENZO[b]FURANS, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF | LAUTENS MARK (CA) | 2007-11-29 | — | — | WO | disclosed |