Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 6/20 | 0.51 |
| ▸ | RORC | P51449 | 1/20 | 0.49 |
| ▸ | DPP4 | P27487 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | FUCA1 | P04066 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1977454 | 1.00 | CCR5 (0.51) | CCR5RORCDPP4HTR2AHTR2C | |
| SCHEMBL1974964 | 0.90 | RORC (0.49) | CCR5RORCDPP4HTR2AHTR2C | |
| SCHEMBL1976030 | 0.89 | RORC (0.52) | CCR5RORCDPP4SIGMAR1GBA1 | |
| SCHEMBL13198817 | 0.89 | RORC (0.52) | CCR5RORCDPP4SIGMAR1GBA1 | |
| SCHEMBL1974849 | 0.89 | RORC (0.52) | CCR5RORCDPP4SIGMAR1GBA1 | |
| SCHEMBL1421644 | 0.89 | RORC (0.52) | CCR5RORCDPP4SIGMAR1GBA1 | |
| SCHEMBL1421756 | 0.89 | RORC (0.52) | CCR5RORCDPP4SIGMAR1GBA1 | |
| SCHEMBL7878252 | 0.89 | RORC (0.52) | CCR5RORCDPP4SIGMAR1GBA1 | |
| SCHEMBL1974674 | 0.85 | DPP4 (0.58) | CCR5RORCDPP4KDM1ASIGMAR1 | |
| SCHEMBL1974670 | 0.85 | DPP4 (0.58) | CCR5RORCDPP4KDM1ASIGMAR1 |
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-2513052-A1 | PYRROLIDINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011085886-A1 | PYRROLIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-07-21 | — | — | WO | disclosed |