Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | GRIA1 | P42261 | 7/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11774786 | 0.86 | GRIA1 (0.47) | CA2CA1CA12CA9GRIA1 | |
| SCHEMBL11777896 | 0.86 | GRIA1 (0.47) | CA2CA1CA12CA9GRIA1 | |
| SCHEMBL11776373 | 0.86 | GRIA1 (0.47) | CA2CA1CA12CA9GRIA1 | |
| SCHEMBL11777894 | 0.86 | GRIA1 (0.59) | CA2CA1CA12CA9GRIA1 | |
| SCHEMBL11779137 | 0.86 | GRIA1 (0.59) | CA2CA1CA12CA9GRIA1 | |
| SCHEMBL11778117 | 0.84 | ABCG2 (0.46) | CA2SMN1; SMN2NPC1TP53RAB9A | |
| SCHEMBL11778692 | 0.84 | GRIA1 (0.46) | CA2CA1CA12CA9GRIA1 | |
| SCHEMBL11781378 | 0.84 | CA2 (0.48) | CA2RAB9AHDAC3HDAC1HDAC2 | |
| SCHEMBL11774072 | 0.82 | GRIA1 (0.46) | GRIA1 | |
| SCHEMBL11779711 | 0.77 | ACE (0.46) | GRIA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4004008-A | ANTISPASMODIC, VASODILATION | ROTTA RESEARCH LABORATORIUM S.P.A. (IT) | 1977-01-18 | — | — | US | disclosed |