Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | LIPE | Q05469 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.33 |
| ▸ | METAP1 | P53582 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4441970 | 0.87 | HTR2A (0.39) | HTR2AHTR2CHTR2BOPRM1ALDH1A1 | |
| SCHEMBL3307888 | 0.79 | ALDH1A1 (0.47) | ALDH1A1AKR1C3TSHRKDM4E | |
| SCHEMBL3307885 | 0.79 | ALDH1A1 (0.47) | ALDH1A1AKR1C3TSHRKDM4E | |
| SCHEMBL4428249 | 0.78 | OPRM1 (0.41) | OPRM1AKR1C3LIPEACHE | |
| SCHEMBL4433487 | 0.78 | OPRM1 (0.41) | OPRM1AKR1C3LIPEACHE | |
| SCHEMBL25452840 | 0.75 | HTR2A (0.49) | HTR2AHTR2CHTR2BCYP11B2METAP1 | |
| SCHEMBL3303935 | 0.74 | METAP1 (0.44) | OPRM1ESR1CYP11B2METAP1 | |
| SCHEMBL3303931 | 0.74 | METAP1 (0.44) | OPRM1ESR1CYP11B2METAP1 | |
| SCHEMBL3942481 | 0.70 | F2 (0.51) | ALDH1A1MAPTHSD17B10KDM4EHPGD | |
| SCHEMBL15041795 | 0.70 | HTR2C (0.53) | HTR2AHTR2CHTR2BOPRM1ACHE |
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-2132193-A1 | SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS | Boehringer Ingelheim International GmbH (DE) | 2009-12-16 | — | — | EP | disclosed |
| WO-2008116881-A1 | SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-10-02 | — | — | WO | disclosed |