Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CTSC | P53634 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15248182 | 1.00 | CHRNB2 (0.36) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL11449583 | 0.82 | CTSC (0.42) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL6199839 | 0.82 | CTSC (0.42) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL13403384 | 0.82 | CTSC (0.42) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL10151348 | 0.82 | CTSC (0.42) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL5605655 | 0.82 | CTSC (0.42) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL7021231 | 0.82 | CTSC (0.42) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL3834619 | 0.82 | CTSC (0.42) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL11449155 | 0.82 | HRH3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7321361 | 0.81 | CTSC (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 |
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 |