Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14229151 | 0.82 | MMP1 (0.42) | ALDH1A1ATMCA12CA1CA2 | |
| SCHEMBL14229673 | 0.78 | MMP1 (0.39) | ALDH1A1ATMTSHRCA12CA1 | |
| SCHEMBL14229142 | 0.77 | MMP1 (0.43) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL8899728 | 0.75 | ALDH1A1 (0.45) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL23846674 | 0.74 | GGPS1 (0.39) | CA12CA1CA2CA9DNM1 | |
| SCHEMBL21675627 | 0.74 | NAAA (0.46) | ALDH1A1TSHRDNM1HCAR2LMNA | |
| SCHEMBL8909554 | 0.74 | ALDH1A1 (0.52) | ALDH1A1ATMTSHRHPGDCA12 | |
| SCHEMBL65775 | 0.74 | ALDH1A1 (0.52) | ALDH1A1ATMTSHRHPGDCA12 | |
| SCHEMBL3956626 | 0.73 | ALDH1A1 (0.44) | ALDH1A1ATMTSHRHPGDCHRNB2 | |
| SCHEMBL18388303 | 0.73 | CA12 (0.41) | ALDH1A1TSHRHPGDCA12CA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0746566-A1 | NOVEL 2-SUBSTITUTED INDANE-2-MERCAPTOACETYLAMIDE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE | MERRELL PHARMACEUTICALS INC. (US) | 1996-12-11 | — | — | EP | disclosed |
| WO-1995021857-A1 | NOVEL 2-SUBSTITUTED INDANE-2-MERCAPTOACETYLAMIDE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE | MERRELL PHARMACEUTICALS INC. (US) | 1995-08-17 | — | — | WO | disclosed |