Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.52 |
| ▸ | HRH1 | P35367 | 2/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.45 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | GPR3 | P46089 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | PRNP | P04156 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1253465 | 0.82 | TAS1R3 (0.47) | CYP2D6CHRM1HRH1KCNH2TAS1R3 | |
| SCHEMBL2387916 | 0.80 | CNR2 (0.49) | TAS1R3TAS1R1ATMLOXL2ALDH1A1 | |
| SCHEMBL1035524 | 0.78 | LOXL2 (0.48) | CYP2D6TAS1R3TAS1R1LOXL2ALDH1A1 | |
| SCHEMBL2388976 | 0.76 | CNR2 (0.46) | TAS1R3TAS1R1ATMLOXL2ALDH1A1 | |
| SCHEMBL12507999 | 0.75 | TAS1R3 (0.41) | TAS1R3TAS1R1LOXL2ALDH1A1GPR3 | |
| SCHEMBL4429817 | 0.75 | CNR2 (0.51) | KCNH2TAS1R3TAS1R1LOXL2ALDH1A1 | |
| SCHEMBL586085 | 0.74 | GPR3 (0.44) | TAS1R3TAS1R1LOXL2ALDH1A1GPR3 | |
| SCHEMBL2702753 | 0.74 | LOXL2 (0.63) | TAS1R3TAS1R1LOXL2ALDH1A1KDM4E | |
| SCHEMBL719251 | 0.74 | GPR3 (0.44) | TAS1R3TAS1R1ATMLOXL2ALDH1A1 | |
| SCHEMBL6323143 | 0.74 | TAS1R3 (0.49) | TAS1R3TAS1R1LOXL2ALDH1A1GPR3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1973902-A2 | 3-HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS | Affinium Pharmaceuticals, Inc. (CA) | 2008-10-01 | — | — | EP | disclosed |
| WO-2007067416-A2 | HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2007-06-14 | — | — | WO | disclosed |