Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 2/20 | 0.38 |
| ▸ | CDK2 | P24941 | 2/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4661449 | 1.00 | CDK4 (0.38) | CDK4CDK2CCNE1ADRB2ADRB1 | |
| SCHEMBL4661434 | 0.88 | CDK4 (0.40) | CDK4CDK2BLMCYP1A2CYP2C19 | |
| SCHEMBL4662765 | 0.87 | CDK4 (0.38) | CDK4CDK2ALDH1A1HTTKDM4E | |
| SCHEMBL4661323 | 0.85 | ALDH1A1 (0.41) | HIF1AALDH1A1SMN1; SMN2CYP3A4MEN1 | |
| SCHEMBL4661500 | 0.85 | ALDH1A1 (0.41) | HIF1AALDH1A1SMN1; SMN2CYP3A4MEN1 | |
| SCHEMBL4662702 | 0.83 | JAK2 (0.42) | CDK4CDK2CCNE1ADRB2ADRB1 | |
| SCHEMBL4661488 | 0.81 | HTT (0.40) | ALDH1A1SMN1; SMN2MEN1KMT2AHTT | |
| SCHEMBL4661452 | 0.79 | CXCL8 (0.36) | CDK4CDK2CCNE1CYP2D6ALDH1A1 | |
| SCHEMBL4661305 | 0.75 | PYCR1 (0.42) | ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1 | |
| SCHEMBL4661399 | 0.75 | PYCR1 (0.42) | ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1 |
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-2007707-A1 | COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | Boehringer Ingelheim International GmbH (DE) | 2008-12-31 | — | — | EP | disclosed |
| WO-2007118041-A1 | COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-10-18 | — | — | WO | disclosed |