Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 2/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.30 |
| ▸ | CTSA | P10619 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9329411 | 0.87 | HCAR2 (0.37) | HCAR2NAPRTKDM4EMEN1ALDH1A1 | |
| SCHEMBL15881205 | 0.82 | CDK2 (0.42) | CDK2NTRK1GRM5PPARGPPARA | |
| SCHEMBL27752731 | 0.82 | CDK2 (0.38) | CDK2NTRK1GRM5PPARGPPARA | |
| SCHEMBL14688148 | 0.80 | NTRK1 (0.35) | CDK2NTRK1HCAR2GRM5PPARG | |
| SCHEMBL29031594 | 0.79 | ALDH1A1 (0.37) | CDK2NTRK1GRM5PPARGPPARA | |
| SCHEMBL186349 | 0.76 | CDK2 (0.39) | CDK2HCAR2KDM4EMEN1ALDH1A1 | |
| SCHEMBL9659243 | 0.76 | HCAR2 (0.38) | HCAR2GRM5KDM4EALDH1A1CYP2C9 | |
| SCHEMBL2849173 | 0.76 | KMT2A (0.50) | CDK2GRM5KDM4EMEN1KMT2A | |
| SCHEMBL1732930 | 0.72 | L3MBTL1 (0.45) | GRM5KDM4EMEN1ALDH1A1CYP1A2 | |
| SCHEMBL186538 | 0.72 | HCAR3 (0.36) | HCAR2GRM5CTSAKDM4EALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2225223-B1 | ORGANIC COMPOUNDS | BOEHRINGER INGELHEIM INT (DE) | 2017-01-11 | — | — | EP | disclosed |
| EP-2251338-A2 | Organic compounds | Boehringer Ingelheim International GmbH (DE) | 2010-11-17 | — | — | EP | disclosed |
| EP-2225223-A2 | ORGANIC COMPOUNDS | Boehringer Ingelheim International GmbH (DE) | 2010-09-08 | — | — | EP | disclosed |
| WO-2009065919-A2 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-05-28 | — | — | WO | disclosed |