Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.37 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.37 |
| ▸ | CHRNG | P07510 | 1/20 | 0.37 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | CHRND | Q07001 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.36 |
| ▸ | CDK9 | P50750 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3548209 | 0.98 | DRD2 (0.42) | DRD2POLBCASP6SLC6A2SLC6A3 | |
| SCHEMBL654834 | 0.90 | DRD2 (0.54) | DRD2POLBCASP6SLC6A2SLC6A3 | |
| SCHEMBL3107459 | 0.85 | DRD2 (0.47) | DRD2SLC6A2SLC6A3SLC6A4CHRNA1 | |
| SCHEMBL8418296 | 0.81 | POLB (0.45) | DRD2POLBCASP6SLC6A2SLC6A3 | |
| SCHEMBL3116674 | 0.81 | DRD2 (0.51) | DRD2SLC6A2SLC6A3SLC6A4CYP2D6 | |
| SCHEMBL2272286 | 0.78 | DRD2 (0.50) | DRD2SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL3549471 | 0.76 | DRD2 (0.52) | DRD2POLBSLC6A2SLC6A3SLC6A4 | |
| Hydrochloric Acid SCHEMBL2276550 | 0.75 | DRD2 (0.50) | DRD2POLBSLC6A2SLC6A3SLC6A4 | |
| SCHEMBL533971 | 0.75 | DRD2 (0.59) | DRD2SLC6A2SLC6A3SLC6A4CHRNA1 | |
| SCHEMBL2271090 | 0.75 | DRD2 (0.55) | DRD2ESR1ESR2SIGMAR1OPRM1 |
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-2051977-A2 | SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLbeta-HSD-1 | Amgen Inc. (US) | 2009-04-29 | — | — | EP | disclosed |
| WO-2008011453-A2 | SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 | AMGEN INC. (US) | 2008-01-24 | — | — | WO | disclosed |