Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25930148 | 1.00 | CTSC (0.36) | CTSCMAPK1L3MBTL1CHRM2CHRM1 | |
| SCHEMBL594328 | 0.86 | MAPK1 (0.31) | MAPK1L3MBTL1CHRM2CHRM1CHRM3 | |
| SCHEMBL11449860 | 0.86 | MAPK1 (0.31) | MAPK1L3MBTL1CHRM2CHRM1CHRM3 | |
| SCHEMBL11449155 | 0.85 | HRH3 (0.31) | MAPK1 | |
| Hydrochloric Acid SCHEMBL29398060 | 0.85 | MAPK1 (0.30) | MAPK1 | |
| SCHEMBL11467239 | 0.82 | NFKB1 (0.30) | — | |
| SCHEMBL6199839 | 0.82 | CTSC (0.42) | CTSCCHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL11449583 | 0.82 | CTSC (0.42) | CTSCCHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL7021231 | 0.82 | CTSC (0.42) | CTSCCHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL3834619 | 0.82 | CTSC (0.42) | CTSCCHRNB2CHRNB4CHRNA3CHRNA7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0048159-A2 | Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents | UNIVERSITY OF MIAMI (US) | 1982-03-24 | — | — | EP | disclosed |
| US-4221912-A | Dithio derivatives of 4,5-dihydro-1H-pyrrole-2-carboxylic acids and 1,4,5,6-tetrahydropyridine-2-carboxylic acids | E. R. SQUIBB & SONS, INC. (US) | 1980-09-09 | — | — | US | disclosed |
| US-4217458-A | Acylmercaptoacyl derivatives of 4,5-dihydro-1H-pyrrole-2-carboxylic acids and 1,4,5,6-tetrahydropyridine-2-carboxylic acids | E. R. SQUIBB & SONS, INC. (US) | 1980-08-12 | — | — | US | disclosed |
| US-4198515-A | Mercaptoacyl derivatives of 4,5-dihydro-1H-pyrrole-2-carboxylic acids and 1,4,5,6-tetrahydropyridine-2-carboxylic acids | E. R. SQUIBB & SONS, INC. (US) | 1980-04-15 | — | — | US | disclosed |