Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.52 |
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.46 |
| ▸ | ACE | P12821 | 4/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HPGDS | O60760 | 1/20 | 0.43 |
| ▸ | NHERF1 | O14745 | 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 | |
|---|---|---|---|---|
| SCHEMBL11781869 | 0.85 | CTSL (0.48) | CA2NPC1RAB9ACYP1A2GAA | |
| SCHEMBL11774786 | 0.83 | GRIA1 (0.47) | CA2CA1CA12CA9GRIA1 | |
| SCHEMBL11777896 | 0.83 | GRIA1 (0.47) | CA2CA1CA12CA9GRIA1 | |
| SCHEMBL13669574 | 0.81 | CA2 (0.70) | CA2CA1NPC1RAB9ACYP1A2 | |
| SCHEMBL11779573 | 0.79 | CHRM2 (0.54) | CA2RAB9AGAAITGB3ITGA2B | |
| SCHEMBL13669575 | 0.78 | LNPEP (0.68) | CA2CA1RAB9AGAALNPEP | |
| SCHEMBL11778320 | 0.76 | GRIA1 (0.61) | CA2CA1ACECTSLGRIA1 | |
| SCHEMBL11773948 | 0.76 | CTSL (0.60) | CA2CA1NPC1RAB9ACYP1A2 | |
| SCHEMBL1569817 | 0.75 | RAB9A (0.56) | CA2CA1NPC1RAB9ACYP1A2 | |
| SCHEMBL11778440 | 0.74 | CHRND (0.57) | CTSLGRIA1 |
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 |