Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.60 |
| ▸ | CA1 | P00915 | 1/20 | 0.60 |
| ▸ | CA2 | P00918 | 1/20 | 0.60 |
| ▸ | CA4 | P22748 | 1/20 | 0.60 |
| ▸ | CA5A | P35218 | 1/20 | 0.60 |
| ▸ | CA7 | P43166 | 1/20 | 0.60 |
| ▸ | CA9 | Q16790 | 1/20 | 0.60 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.60 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.60 |
| ▸ | MMP1 | P03956 | 3/20 | 0.57 |
| ▸ | MMP9 | P14780 | 3/20 | 0.57 |
| ▸ | MMP13 | P45452 | 3/20 | 0.57 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.57 |
| ▸ | OPRM1 | P35372 | 7/20 | 0.54 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.53 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11565563 | 0.94 | MMP1 (0.56) | CA12CA1CA2CA4CA5A | |
| SCHEMBL9737959 | 0.92 | CA12 (0.62) | CA12CA1CA2CA4CA5A | |
| SCHEMBL11560346 | 0.91 | CA12 (0.57) | CA12CA1CA2CA4CA5A | |
| SCHEMBL11564254 | 0.89 | OPRM1 (0.57) | CA12CA1CA2CA4CA5A | |
| SCHEMBL11566381 | 0.89 | CA12 (0.60) | CA12CA1CA2CA4CA5A | |
| SCHEMBL11566866 | 0.88 | SIGMAR1 (0.53) | CA12CA1CA2CA4CA5A | |
| SCHEMBL11565171 | 0.85 | CA12 (0.55) | CA12CA1CA2CA4CA5A | |
| SCHEMBL11566362 | 0.84 | CA12 (0.54) | CA12CA1CA2CA4CA5A | |
| SCHEMBL11559495 | 0.84 | CYP2D6 (0.57) | MMP1MMP9MMP13ADAM17OPRM1 | |
| SCHEMBL11567335 | 0.83 | CA12 (0.53) | 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 |