Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 2/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.38 |
| ▸ | NOS2 | P35228 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | RXFP3 | Q9NSD7 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL10501444 | 0.76 | CYP1A2 (0.49) | SIGMAR1CYP1A2SMN1; SMN2ALDH1A1CYP2C19 | |
| SCHEMBL10501448 | 0.76 | CYP1A2 (0.49) | SIGMAR1CYP1A2SMN1; SMN2ALDH1A1CYP2C19 | |
| SCHEMBL6510702 | 0.76 | ALDH1A1 (0.48) | CYP1A2SMN1; SMN2ALDH1A1ADRA2ACYP2C19 | |
| SCHEMBL6507333 | 0.75 | BCHE (0.44) | SMN1; SMN2 | |
| SCHEMBL5923518 | 0.75 | SMN1; SMN2 (0.49) | CYP1A2SMN1; SMN2ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL6518566 | 0.75 | CYP1A2 (0.56) | SIGMAR1CYP1A2ALDH1A1ADRA2AADRA2B | |
| SCHEMBL4105759 | 0.70 | ADORA2A (0.55) | SIGMAR1SMN1; SMN2ALDH1A1NOS3L3MBTL1 | |
| SCHEMBL6511300 | 0.70 | ADORA2A (0.64) | SMN1; SMN2ALDH1A1ADORA2A | |
| SCHEMBL10646036 | 0.70 | CYP1A2 (0.54) | CYP1A2SMN1; SMN2ALDH1A1TSHRADORA2A | |
| SCHEMBL9621914 | 0.70 | CYP1A2 (0.54) | CYP1A2SMN1; SMN2ALDH1A1TSHRADORA2A |
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-2005095345-A2 | HETEROARYL GUANIDINES AS INHIBITORS OF VIRAL REPLICATION | ACHILLION PHARMACEUTICALS, INC. (US) | 2005-10-13 | — | — | WO | claimed |