Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SI | P14410 | 1/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | DCUN1D1 | Q96GG9 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3322110 | 0.86 | MGAM (0.47) | IDO1MGAMGAASIMGAM2 | |
| SCHEMBL21163205 | 0.84 | ADORA2A (0.36) | IDO1MGAMGAASIMGAM2 | |
| SCHEMBL29565108 | 0.83 | KMO (0.38) | IDO1MGAMGAASIMGAM2 | |
| SCHEMBL17069012 | 0.82 | NUDT1 (0.36) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL4591602 | 0.80 | KDM4E (0.42) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL17194967 | 0.77 | NOTUM (0.35) | SMN1; SMN2ARHPGD | |
| SCHEMBL21163207 | 0.77 | MEN1 (0.35) | GAAALDH1A1NPC1RAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4345831 | 0.76 | HPGD (0.38) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL21091021 | 0.74 | ADRA2A (0.31) | SMN1; SMN2HPGD | |
| SCHEMBL24360032 | 0.74 | DCUN1D1 (0.50) | IDO1GAAALDH1A1NPC1RAB9A |
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-2014057435-A1 | OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO )ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2014-04-17 | — | — | WO | disclosed |