Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | FLT3 | P36888 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | MAOB | P27338 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | AGXT | P21549 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5325218 | 0.86 | CYP2A6 (0.55) | CYP2A6MEN1KMT2AL3MBTL1KDM4E | |
| SCHEMBL5323110 | 0.80 | CYP2A6 (0.56) | CYP2A6MEN1KMT2AL3MBTL1ATM | |
| SCHEMBL5330383 | 0.78 | CYP2A6 (0.46) | CYP2A6L3MBTL1LOXL2MAOBSMN1; SMN2 | |
| SCHEMBL14386985 | 0.73 | CYP2A6 (0.38) | CYP2A6MEN1KMT2AKDM4EFLT3 | |
| SCHEMBL18253195 | 0.73 | CYP2A6 (0.60) | CYP2A6MEN1KMT2AKDM4EFLT3 | |
| SCHEMBL26080884 | 0.72 | CYP2A6 (0.55) | CYP2A6MEN1KMT2AKDM4EFLT3 | |
| SCHEMBL5327160 | 0.72 | CYP2A6 (0.58) | CYP2A6MEN1KMT2AL3MBTL1KDM4E | |
| SCHEMBL3353927 | 0.70 | CYP2A6 (0.56) | CYP2A6KDM4EFLT3LOXL2MGLL | |
| SCHEMBL96257 | 0.69 | CYP2A6 (0.64) | CYP2A6MEN1KMT2AKDM4EFLT3 | |
| SCHEMBL846924 | 0.69 | CYP2A6 (1.00) | CYP2A6MEN1KMT2AKDM4EFLT3 |
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 |