Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.37 |
| ▸ | CA3 | P07451 | 2/20 | 0.37 |
| ▸ | CA5A | P35218 | 2/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL7707571 | 0.81 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL9430552 | 0.68 | ALDH1A1 (0.58) | ALDH1A1POLBSMN1; SMN2MEN1KMT2A | |
| SCHEMBL236402 | 0.67 | ALDH1A1 (0.50) | ALDH1A1POLBSMN1; SMN2MEN1KMT2A | |
| SCHEMBL9030133 | 0.67 | CA3 (0.60) | ALDH1A1POLBSMN1; SMN2MEN1KMT2A | |
| SCHEMBL14497576 | 0.64 | ALDH1A1 (0.58) | ALDH1A1POLBSMN1; SMN2MEN1KMT2A | |
| SCHEMBL3559069 | 0.64 | SMN1; SMN2 (0.58) | ALDH1A1POLBSMN1; SMN2MEN1KMT2A | |
| SCHEMBL13861685 | 0.64 | ALDH1A1 (0.79) | ALDH1A1POLBSMN1; SMN2MEN1KMT2A | |
| SCHEMBL6819670 | 0.64 | ALDH1A1 (0.69) | ALDH1A1POLBSMN1; SMN2MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL9030423 | 0.64 | CA3 (0.55) | ALDH1A1POLBSMN1; SMN2MEN1KMT2A | |
| SCHEMBL28931268 | 0.63 | ALDH1A1 (0.56) | ALDH1A1POLBSMN1; SMN2MEN1KMT2A |
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-0745081-A1 | NOVEL INDANE-2-MERCAPTOACETYLAMIDE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE | MERRELL PHARMACEUTICALS INC. (US) | 1996-12-04 | — | — | EP | disclosed |
| WO-1995021840-A1 | NOVEL INDANE-2-MERCAPTOACETYLAMIDE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE | MERRELL PHARMACEUTICALS INC. (US) | 1995-08-17 | — | — | WO | disclosed |