Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CPA3 | P15088 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11559645 | 0.89 | CTSC (0.47) | CTSCCYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL11560126 | 0.89 | CPA3 (0.49) | CTSCCYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL11561006 | 0.88 | CTSC (0.46) | CTSCHTR2CHTR2BCPA3 | |
| SCHEMBL11557590 | 0.87 | CTSC (0.45) | CTSCCYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL7377900 | 0.85 | CTSC (0.47) | CTSCCYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL11556969 | 0.82 | CPA1 (0.50) | CTSCCYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL7381712 | 0.82 | CTSC (0.48) | CTSCHTR2CHTR2BALDH1A1CPA3 | |
| SCHEMBL11561516 | 0.81 | LTA4H (0.48) | CTSC | |
| SCHEMBL11558104 | 0.81 | CTSC (0.47) | CTSCCYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL7373654 | 0.80 | CYP3A4 (0.46) | CTSCCYP3A4CYP2D6CYP1A2CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4154937-A | ANGIOTENSIN CONVERTING ENZYME INHIBITORS | E. R. SQUIBB & SONS, INC. (US) | 1979-05-15 | — | — | US | disclosed |
| US-4128653-A | Reduction of blood pressure with carboxyalkylacyl-pipecolic acid derivatives | E. R. SQUIBB & SONS, INC. (US) | 1978-12-05 | — | — | US | disclosed |
| US-4086338-A | HYPOTENSIVE AGENTS, ANGIOTENSIN CONVERTING ENZYME INHIBITORS | E. R. SQUIBB & SONS, INC. (US) | 1978-04-25 | — | — | US | disclosed |
| US-4052511-A | ANGIOTENSIN CONVERTING ENZYME INHIBITORS | E. R. SQUIBB & SONS, INC. (US) | 1977-10-04 | — | — | US | disclosed |