Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CPA1 | P15085 | 3/20 | 0.42 |
| ▸ | CPB1 | P15086 | 1/20 | 0.42 |
| ▸ | CPA3 | P15088 | 1/20 | 0.42 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ALPI | P09923 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | XIAP | P98170 | 1/20 | 0.41 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.41 |
| ▸ | MME | P08473 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 3/20 | 0.40 |
| ▸ | ALPL | P05186 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL7321758 | 0.85 | TAAR1 (0.44) | CYP1A2CPA1CPB1CPA3CPB2 | |
| SCHEMBL28924048 | 0.84 | CTSK (0.45) | TRPA1MMECTSKCTSLCTSB | |
| SCHEMBL23219194 | 0.83 | ALPI (0.44) | CYP1A2CPA1CPB1CPA3CPB2 | |
| SCHEMBL10799571 | 0.83 | CYP1A2 (0.40) | CYP1A2CPA1CPB1CPA3CPB2 | |
| SCHEMBL10589550 | 0.83 | CYP1A2 (0.40) | CYP1A2CPA1CPB1CPA3CPB2 | |
| SCHEMBL1915970 | 0.82 | CPA3 (0.56) | CYP1A2CPA1CPB1CPA3CPB2 | |
| SCHEMBL29242660 | 0.82 | EPHX2 (0.47) | MEN1KMT2ACTSKCTSLCTSB | |
| SCHEMBL28924046 | 0.82 | TRPA1 (0.64) | TRPA1CTSB | |
| SCHEMBL7320045 | 0.80 | MMP8 (0.48) | MEN1KMT2ANPC1MMEPOLB | |
| SCHEMBL6446630 | 0.79 | CPA1 (0.43) | CYP1A2CPA1CPB1CPA3CPB2 |
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 |