Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | MGAM | O43451 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SI | P14410 | 1/20 | 0.38 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL9956334 | 0.82 | IMPDH2 (0.56) | NOTUMMAPK14IMPDH2ACHEHCRTR2 | |
| SCHEMBL9956542 | 0.79 | NOTUM (0.47) | NOTUMMAPK14KDM4EMAPTCYP17A1 | |
| SCHEMBL3441822 | 0.79 | MAP4K4 (0.47) | IMPDH2KDM4EMAPTSMN1; SMN2 | |
| SCHEMBL27422553 | 0.79 | IMPDH2 (0.47) | IMPDH2ACHECYP3A4 | |
| SCHEMBL9953638 | 0.79 | NOTUM (0.47) | NOTUMMAPK14IMPDH2MAPTHCRTR2 | |
| SCHEMBL472496 | 0.79 | IMPDH2 (0.41) | MAPK14IMPDH2 | |
| SCHEMBL1855319 | 0.79 | NOTUM (0.51) | NOTUMIMPDH2KDM4ECYP3A4GAA | |
| SCHEMBL472455 | 0.78 | MAPK14 (0.54) | NOTUMMAPK14IMPDH2 | |
| SCHEMBL343219 | 0.77 | ADORA2A (0.50) | NOTUMMAPK14IMPDH2KDM4EMAPT | |
| SCHEMBL9954145 | 0.76 | NOTUM (0.44) | NOTUMMAPK14KDM4EMAPTCYP17A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012085857-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |
| WO-2012085852-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |