Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FPR2 | P25090 | 4/20 | 0.38 |
| ▸ | SPR | P35270 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MIF | P14174 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | REN | P00797 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12503623 | 0.92 | SPR (0.38) | FPR2SPRSRCALDH1A1TSHR | |
| SCHEMBL7519898 | 0.89 | ALDH1A1 (0.41) | ALDH1A1TSHRLMNATHRBHPGD | |
| SCHEMBL8289020 | 0.87 | NPSR1 (0.41) | FPR2ALDH1A1TSHRLMNATHRB | |
| SCHEMBL17715553 | 0.87 | FPR2 (0.36) | FPR2ALDH1A1TSHRLMNAHPGD | |
| SCHEMBL14104845 | 0.86 | ATM (0.41) | FPR2ALDH1A1LMNAMIFATM | |
| SCHEMBL10305487 | 0.85 | FPR2 (0.39) | FPR2SPRLMNAMIFATM | |
| SCHEMBL8290113 | 0.82 | SIGMAR1 (0.42) | ALDH1A1 | |
| SCHEMBL12504645 | 0.82 | FPR2 (0.38) | FPR2ALDH1A1LMNAMIFATM | |
| SCHEMBL12503932 | 0.82 | NPC1 (0.43) | FPR2ALDH1A1LMNATHRBHPGD | |
| SCHEMBL7519921 | 0.81 | KMT2A (0.40) | ALDH1A1THRBHPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2153832-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-03-09 | — | — | EP | disclosed |
| EP-2153832-A2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2010-02-17 | — | — | EP | disclosed |
| WO-2005058311-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2005-06-30 | — | — | WO | disclosed |