Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.51 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Carbamic Acid SCHEMBL11874509 | 0.88 | IRAK4 (0.54) | IRAK4ALDH1A1ACHEMRGPRX1TP53 | |
| SCHEMBL2088832 | 0.86 | ALDH1A1 (0.51) | IRAK4ALDH1A1ACHEMRGPRX1TP53 | |
| SCHEMBL105237 | 0.86 | BRD4 (0.55) | IRAK4ALDH1A1ACHEMRGPRX1TP53 | |
| SCHEMBL2088830 | 0.86 | ALDH1A1 (0.51) | IRAK4ALDH1A1ACHEMRGPRX1TP53 | |
| Acetic Acid SCHEMBL19639566 | 0.84 | IRAK4 (0.50) | IRAK4ALDH1A1ACHEMRGPRX1TP53 | |
| Oxalic Acid SCHEMBL19639579 | 0.84 | IRAK4 (0.50) | IRAK4ALDH1A1ACHEMRGPRX1TP53 | |
| SCHEMBL2093681 | 0.84 | ALDH1A1 (0.54) | IRAK4ALDH1A1ACHEMRGPRX1TP53 | |
| SCHEMBL19639526 | 0.84 | IRAK4 (0.49) | IRAK4ALDH1A1ACHEMRGPRX1TP53 | |
| SCHEMBL6118190 | 0.84 | IRAK4 (0.49) | IRAK4ALDH1A1ACHEMRGPRX1TP53 | |
| Hydrochloric Acid SCHEMBL10869879 | 0.83 | IRAK4 (0.47) | IRAK4ALDH1A1ACHEMRGPRX1TP53 |
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-1804785-A2 | DIARYL UREAS AS CB1 ANTAGONISTS | NEUROGEN CORPORATION (US) | 2007-07-11 | — | — | EP | disclosed |
| WO-2006049941-A2 | DIARYL UREAS AS CB1 ANTAGONISTS | NEUROGEN CORPORATION (US) | 2006-05-11 | — | — | WO | disclosed |