Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.41 |
| ▸ | ANPEP | P15144 | 2/20 | 0.41 |
| ▸ | RNPEP | Q9H4A4 | 2/20 | 0.41 |
| ▸ | DNPEP | Q9ULA0 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | LAP3 | P28838 | 3/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11297959 | 0.83 | HDAC3 (0.45) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| SCHEMBL1697450 | 0.82 | CYP1A2 (0.48) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| SCHEMBL7266826 | 0.81 | MME (0.45) | SLC6A2SLC6A4SLC6A3ANPEPTRPA1 | |
| SCHEMBL7300322 | 0.80 | CNR2 (0.44) | SIGMAR1 | |
| SCHEMBL27758693 | 0.80 | CYP1A2 (0.46) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| SCHEMBL6946871 | 0.79 | CYP1A2 (0.39) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| SCHEMBL19812641 | 0.79 | EPHX1 (0.43) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| SCHEMBL277772 | 0.79 | LAP3 (0.41) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| SCHEMBL7294571 | 0.79 | CSNK1E (0.50) | — | |
| SCHEMBL10587652 | 0.79 | HTR2A (0.47) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 |
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-0327877-A2 | Peptide-renininhibitors | MERCK PATENT GmbH (DE) | 1989-08-16 | — | — | EP | disclosed |
| EP-0292800-A2 | Amino acid derivatives | MERCK PATENT GmbH (DE) | 1988-11-30 | — | — | EP | disclosed |
| EP-0249096-A2 | Renin-inhibiting amino acid derivatives | MERCK PATENT GmbH (DE) | 1987-12-16 | — | — | EP | disclosed |