Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TNF | P01375 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.36 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.36 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8329882 | 0.82 | SLC6A2 (0.43) | ALDH1A1LMNAHTTSMN1; SMN2TNF | |
| SCHEMBL8329884 | 0.82 | SLC6A2 (0.43) | ALDH1A1LMNAHTTSMN1; SMN2TNF | |
| SCHEMBL17424876 | 0.78 | LMNA (0.44) | ALDH1A1LMNAHTTSMN1; SMN2TNF | |
| SCHEMBL8225216 | 0.78 | LMNA (0.44) | ALDH1A1LMNAHTTSMN1; SMN2TNF | |
| SCHEMBL11079232 | 0.77 | TNF (0.44) | ALDH1A1LMNAHTTSMN1; SMN2TNF | |
| SCHEMBL13357525 | 0.75 | CDC7 (0.49) | ALDH1A1LMNAHTTSMN1; SMN2TNF | |
| SCHEMBL2738618 | 0.73 | ALDH1A1 (0.48) | ALDH1A1LMNAHTTSMN1; SMN2PTGS1 | |
| SCHEMBL29609086 | 0.72 | EPHX1 (0.66) | TNFPTGS1 | |
| SCHEMBL28622582 | 0.72 | EPHX1 (0.66) | TNFPTGS1 | |
| SCHEMBL11008430 | 0.71 | ALDH1A1 (0.46) | ALDH1A1LMNAHTTSMN1; SMN2TNF |
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-0702681-A1 | SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS | MERCK & CO. INC. (US) | 1996-03-27 | — | — | EP | disclosed |
| WO-1994029309-A1 | SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS | MERCK & CO., INC. (US) | 1994-12-22 | — | — | WO | disclosed |