Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11271355 | 1.00 | CYP2D6 (0.42) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11269495 | 0.99 | CYP2D6 (0.41) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11270424 | 0.94 | CYP2D6 (0.40) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11199301 | 0.94 | CYP2D6 (0.41) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11171229 | 0.93 | CYP2D6 (0.40) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11258758 | 0.93 | CYP2D6 (0.40) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11272297 | 0.92 | CYP2D6 (0.40) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11179131 | 0.92 | CYP2D6 (0.40) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11175879 | 0.92 | CYP2D6 (0.40) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11265537 | 0.92 | CYP2D6 (0.40) | CYP2D6ABCB11ADORA3ARSLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4362738-A | ANTIINFLAMMATORIES | DR. KARL THOMAE GMBH (DE) | 1982-12-07 | — | — | US | disclosed |
| EP-0024282-A1 | Benzoyl derivatives, their preparation and their use as medicines | Dr. Karl Thomae GmbH (DE) | 1981-03-04 | — | — | EP | disclosed |