Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
| ▸ | DRD4 | P21917 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | RXRB | P28702 | 1/20 | 0.44 |
| ▸ | RXRG | P48443 | 1/20 | 0.44 |
| ▸ | RGS12 | O14924 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5778832 | 0.90 | KDM4E (0.60) | DRD2DRD4KDM4EMAPTAKR1B1 | |
| SCHEMBL31285975 | 0.90 | KDM4E (0.60) | DRD2DRD4KDM4EMAPTAKR1B1 | |
| SCHEMBL9328756 | 0.87 | KDM4E (0.45) | DRD2DRD4KDM4EMAPTAKR1B1 | |
| SCHEMBL29642979 | 0.85 | DRD2 (0.50) | DRD2DRD4KDM4EMAPTALDH1A1 | |
| SCHEMBL7260939 | 0.84 | DRD2 (0.49) | DRD2DRD4KDM4EMAPTRXRA | |
| SCHEMBL6274911 | 0.81 | ALDH1A1 (0.47) | DRD2DRD4KDM4EMAPTHPGD | |
| SCHEMBL28404333 | 0.81 | KDM4E (0.49) | KDM4EMAPTAKR1B1HPGDHSD17B10 | |
| SCHEMBL12736108 | 0.79 | DRD2 (0.58) | DRD2DRD4KDM4EMAPTHSD17B10 | |
| Phenylacetic Acid SCHEMBL27898390 | 0.79 | AKR1B1 (0.55) | DRD2DRD4AKR1B1ALDH1A1RXRA | |
| SCHEMBL12324805 | 0.78 | DRD2 (0.57) | DRD2DRD4KDM4EMAPTHSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104395290-A | Novel adamantyl derivatives as cannabinoid receptor 2 agonists | HOFFMANN LA ROCHE | 2015-03-04 | — | — | CN | disclosed |
| US-5288749-A | Treating central nervous system or cardiovascular disorders | ABBOTT LABORATORIES (US) | 1994-02-22 | — | — | US | disclosed |
| WO-1993012754-A2 | TERTIARY AND SECONDARY AMINES AS ALPHA-2 ANTAGONISTS AND SEROTONIN UPTAKE INHIBITORS | ABBOTT LABORATORIES (US) | 1993-07-08 | — | — | WO | disclosed |