Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 8/20 | 0.41 |
| ▸ | CCR5 | P51681 | 2/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 3/20 | 0.38 |
| ▸ | DRD3 | P35462 | 3/20 | 0.38 |
| ▸ | DRD4 | P21917 | 2/20 | 0.38 |
| ▸ | FUCA1 | P04066 | 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 | |
|---|---|---|---|---|
| SCHEMBL1974966 | 1.00 | DPP4 (0.42) | DPP4S1PR1CCR5RORCKDM1A | |
| SCHEMBL2228606 | 0.90 | KDM1A (0.44) | DPP4CCR5RORCKDM1ASIGMAR1 | |
| SCHEMBL1977456 | 0.90 | KDM1A (0.44) | DPP4CCR5RORCKDM1ASIGMAR1 | |
| SCHEMBL1974894 | 0.90 | SIGMAR1 (0.47) | DPP4CCR5RORCKDM1ASIGMAR1 | |
| SCHEMBL1976032 | 0.90 | SIGMAR1 (0.47) | DPP4CCR5RORCKDM1ASIGMAR1 | |
| SCHEMBL1974850 | 0.90 | SIGMAR1 (0.47) | DPP4CCR5RORCKDM1ASIGMAR1 | |
| SCHEMBL2225316 | 0.90 | SIGMAR1 (0.47) | DPP4CCR5RORCKDM1ASIGMAR1 | |
| SCHEMBL2413984 | 0.87 | DPP4 (0.41) | DPP4CCR5RORCKDM1ASIGMAR1 | |
| SCHEMBL1975962 | 0.83 | RORC (0.48) | DPP4CCR5RORCKDM1ASIGMAR1 | |
| SCHEMBL1203069 | 0.83 | RORC (0.48) | DPP4CCR5RORCKDM1ASIGMAR1 |
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 |