Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 3/20 | 0.50 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.48 |
| ▸ | CCR5 | P51681 | 2/20 | 0.47 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.46 |
| ▸ | KDM1A | O60341 | 3/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4399964 | 1.00 | RORC (0.50) | RORCS1PR5S1PR1CCR5FUCA1 | |
| SCHEMBL3488099 | 0.88 | BCHE (0.47) | S1PR5CCR5KDM1AMAOBBCHE | |
| SCHEMBL10508986 | 0.82 | BCHE (0.56) | RORCS1PR5S1PR1FUCA1MAOB | |
| SCHEMBL4434224 | 0.81 | S1PR5 (0.49) | S1PR5S1PR1FUCA1MAOBBCHE | |
| SCHEMBL6571278 | 0.79 | CCR5 (0.60) | RORCS1PR5S1PR1CCR5FUCA1 | |
| SCHEMBL27922702 | 0.78 | CCR5 (0.53) | S1PR5CCR5MAOBSIGMAR1 | |
| SCHEMBL419234 | 0.78 | RORC (0.64) | RORCS1PR5S1PR1CCR5FUCA1 | |
| SCHEMBL1752470 | 0.78 | RORC (0.64) | RORCS1PR5S1PR1CCR5FUCA1 | |
| SCHEMBL1751711 | 0.78 | RORC (0.64) | RORCS1PR5S1PR1CCR5FUCA1 | |
| SCHEMBL8484105 | 0.78 | RORC (0.64) | RORCS1PR5S1PR1CCR5FUCA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2029541-B1 | PROCESS FOR PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOXYLIC ACIDS | HOFFMANN LA ROCHE (CH) | 2009-12-30 | — | — | EP | claimed |