Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.30 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL13809125 | 0.82 | CHRNB2 (0.37) | — | |
| SCHEMBL594328 | 0.82 | MAPK1 (0.31) | — | |
| SCHEMBL7270417 | 0.82 | CTSC (0.36) | — | |
| SCHEMBL11449860 | 0.82 | MAPK1 (0.31) | — | |
| SCHEMBL25930148 | 0.82 | CTSC (0.36) | — | |
| Hydrochloric Acid SCHEMBL29398060 | 0.81 | MAPK1 (0.30) | — | |
| SCHEMBL7277577 | 0.78 | CTSC (0.41) | — | |
| SCHEMBL27736155 | 0.78 | CTSC (0.41) | — | |
| SCHEMBL15699359 | 0.78 | CYP1A2 (0.31) | — | |
| SCHEMBL3450013 | 0.78 | CYP2D6 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |