Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.48 |
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 3/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | BAD | Q92934 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 5/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28802239 | 0.78 | PNMT (0.58) | KIF11BCL2L1BADPNMTKDM4E | |
| SCHEMBL29365985 | 0.76 | ADRA2A (0.59) | ACHEBCL2L1BADPNMTADRA2A | |
| SCHEMBL10328388 | 0.76 | ADRA2A (0.59) | ACHEBCL2L1BADPNMTADRA2A | |
| SCHEMBL2089665 | 0.76 | HPRT1 (0.54) | CYP1A2CYP2A6KIF11ACHEALDH1A1 | |
| SCHEMBL30928215 | 0.76 | HPRT1 (0.54) | CYP1A2CYP2A6KIF11ACHEALDH1A1 | |
| SCHEMBL21176632 | 0.76 | HPRT1 (0.54) | CYP1A2CYP2A6KIF11ACHEALDH1A1 | |
| SCHEMBL31490440 | 0.74 | HPRT1 (0.52) | CYP1A2CYP2A6KIF11ACHEALDH1A1 | |
| SCHEMBL4660547 | 0.74 | HPRT1 (0.52) | CYP1A2CYP2A6KIF11ACHEALDH1A1 | |
| Water SCHEMBL28388195 | 0.74 | HPRT1 (0.52) | CYP1A2CYP2A6KIF11ACHEALDH1A1 | |
| SCHEMBL30329691 | 0.74 | HPRT1 (0.52) | CYP1A2CYP2A6KIF11ACHEALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1761673-A | guanidine derivatives and their use as neuropeptide FF receptor antagonists | ACTELION PHARMACEUTICALS LTD (CH) | 2006-04-19 | — | — | CN | disclosed |
| CN-1061594-A | Hydroxyalkyl quinoline ether acid as leukotriene antagonists | MERCK FROSST CANADA INT (CA) | 1992-06-03 | — | — | CN | disclosed |