Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.45 |
| ▸ | CHAT | P28329 | 1/20 | 0.44 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.44 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | GSR | P00390 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | PNMT | P11086 | 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 | |
|---|---|---|---|---|
| SCHEMBL1569978 | 1.00 | TAAR1 (0.45) | TAAR1CHATGRIK1GRIK2ALDH1A1 | |
| SCHEMBL1569977 | 1.00 | TAAR1 (0.45) | TAAR1CHATGRIK1GRIK2ALDH1A1 | |
| SCHEMBL12426097 | 0.83 | ALDH1A1 (0.46) | TAAR1CHATGRIK1GRIK2ALDH1A1 | |
| SCHEMBL15539237 | 0.80 | CHAT (0.44) | CHATGRIK1GRIK2ALDH1A1GRIN1 | |
| SCHEMBL5254661 | 0.80 | ALDH1A1 (0.48) | CHATGRIK1GRIK2ALDH1A1GRIN1 | |
| SCHEMBL5254658 | 0.80 | ALDH1A1 (0.48) | CHATGRIK1GRIK2ALDH1A1GRIN1 | |
| SCHEMBL5319574 | 0.80 | CHAT (0.44) | CHATGRIK1GRIK2ALDH1A1GRIN1 | |
| SCHEMBL20604271 | 0.80 | TLR8 (0.45) | CHATGRIK1GRIK2ALDH1A1HDAC1 | |
| SCHEMBL20604275 | 0.80 | TLR8 (0.45) | CHATGRIK1GRIK2ALDH1A1HDAC1 | |
| SCHEMBL1800209 | 0.77 | TDP1 (0.47) | ALDH1A1GRIN1GRIN2BKDM4ENPC1 |
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-2004071445-A2 | 2-(AMINOMETHYL)ARYLAMIDE ANALGESICS | PHARMACOPEIA DRUG DISCOVERY, INC. (US) | 2004-08-26 | — | — | WO | disclosed |