Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11564609 | 0.89 | SIGMAR1 (0.52) | SIGMAR1CA12CA1CA2CA4 | |
| SCHEMBL11564559 | 0.88 | SIGMAR1 (0.50) | SIGMAR1CA12CA1CA2CA4 | |
| SCHEMBL11567856 | 0.84 | CA12 (0.49) | CA12CA1CA2CA4CA5A | |
| SCHEMBL11564443 | 0.82 | CA12 (0.59) | SIGMAR1CA12CA1CA2CA4 | |
| SCHEMBL11564812 | 0.82 | ADRA1D (0.47) | CA12CA1CA2CA4CA5A | |
| SCHEMBL11564275 | 0.80 | SIGMAR1 (0.51) | SIGMAR1CA12CA1CA2CA4 | |
| SCHEMBL11563820 | 0.79 | CA12 (0.47) | SIGMAR1CA12CA1CA2CA4 | |
| SCHEMBL11563591 | 0.78 | CA12 (0.46) | CA12CA1CA2CA4CA5A | |
| SCHEMBL11564293 | 0.78 | CA12 (0.47) | CA12CA1CA2CA4CA5A | |
| SCHEMBL11562772 | 0.78 | OPRM1 (0.54) | CA12CA1CA2CA4CA5A |
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-4179569-A | ANALGESIC INTERMEDIATES | JANSSEN PHARMACEUTICA N.V. (BE) | 1979-12-18 | — | — | US | disclosed |