Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.42 |
| ▸ | BCL2 | P10415 | 1/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD5 | P21918 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28430480 | 0.98 | HTR2A (0.46) | HTR2ASLC6A2TAAR1CALM1BCL2 | |
| SCHEMBL28662452 | 0.85 | HTR2A (0.42) | HTR2ASLC6A2TAAR1CALM1BCL2 | |
| SCHEMBL6546758 | 0.83 | CALM1 (0.46) | HTR2ASLC6A2TAAR1CALM1BCL2 | |
| SCHEMBL10782398 | 0.82 | CALM1 (0.44) | HTR2ASLC6A2TAAR1CALM1BCL2 | |
| SCHEMBL8815094 | 0.80 | BCL2 (0.45) | HTR2ASLC6A2TAAR1CALM1BCL2 | |
| SCHEMBL29470998 | 0.80 | BCL2 (0.45) | HTR2ASLC6A2TAAR1CALM1BCL2 | |
| SCHEMBL10900432 | 0.78 | HTR2A (0.41) | HTR2ASLC6A2TAAR1CALM1BCL2 | |
| SCHEMBL3435481 | 0.78 | KCNN4 (0.50) | HTR2ASLC6A2TAAR1CALM1BCL2 | |
| SCHEMBL10601601 | 0.78 | LMNA (0.47) | HTR2ASLC6A2TAAR1CALM1BCL2 | |
| SCHEMBL5764360 | 0.77 | CALM1 (0.48) | HTR2ACALM1BCL2BCL2L1HPGD |
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-1592684-B1 | MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2008-07-30 | — | — | EP | disclosed |
| WO-2004069826-A1 | MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-08-19 | — | — | WO | disclosed |