Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 9/20 | 0.34 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | YAP1 | P46937 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL557213 | 0.90 | OPRK1 (0.33) | TACR1 | |
| SCHEMBL555641 | 0.84 | TACR1 (0.37) | TACR1TSHRALOX15GPR119DDB1 | |
| SCHEMBL534387 | 0.82 | OPRK1 (0.33) | TACR1 | |
| SCHEMBL534386 | 0.82 | OPRK1 (0.33) | TACR1 | |
| SCHEMBL556773 | 0.78 | OPRK1 (0.38) | TACR1 | |
| SCHEMBL556775 | 0.78 | TACR1 (0.36) | TACR1TSHRALOX15GPR119DDB1 | |
| SCHEMBL534508 | 0.76 | MEN1 (0.37) | — | |
| SCHEMBL556678 | 0.74 | RORC (0.40) | TACR1GPR119 | |
| SCHEMBL3099550 | 0.72 | ALK (0.41) | TACR1TSHRALOX15GPR119DDB1 | |
| SCHEMBL3099564 | 0.72 | ALK (0.41) | TACR1TSHRALOX15GPR119DDB1 |
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-2413941-A1 | RENIN INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010114978-A1 | RENIN INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2010-10-07 | — | — | WO | disclosed |