Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 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 | |
|---|---|---|---|---|
| SCHEMBL19291219 | 0.98 | USP2 (0.37) | ALDH1A1USP2ALOX15PIK3CD | |
| SCHEMBL1246071 | 0.91 | — | — | |
| SCHEMBL207915 | 0.81 | — | — | |
| SCHEMBL8444436 | 0.77 | ALDH1A1 (0.37) | ALDH1A1 | |
| SCHEMBL15624365 | 0.75 | ALDH1A1 (0.36) | ALDH1A1ALOX15 | |
| SCHEMBL303801 | 0.75 | DNM1 (0.52) | TSHR | |
| SCHEMBL1061739 | 0.75 | DNM1 (0.52) | TSHR | |
| SCHEMBL77300 | 0.75 | DNM1 (0.52) | TSHR | |
| SCHEMBL303288 | 0.75 | DNM1 (0.52) | TSHR | |
| SCHEMBL303315 | 0.75 | DNM1 (0.52) | TSHR |
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-2552923-B1 | MACROCYCLIC INTEGRASE INHIBITORS | JANSSEN R & D IRELAND (IE) | 2014-03-26 | — | — | EP | disclosed |