Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | CTSK | P43235 | 11/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 5/20 | 0.42 |
| ▸ | CTSL | P07711 | 2/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2685445 | 0.91 | CA2 (0.49) | CYP2D6CA2CA1CA7CTSK | |
| SCHEMBL432411 | 0.87 | CYP1A2 (0.55) | CYP2D6CA2CA1CA7CTSK | |
| SCHEMBL2166916 | 0.86 | CA1 (0.49) | CYP2D6CA2CA1CA7CTSK | |
| SCHEMBL1508734 | 0.79 | CYP2D6 (0.42) | CYP2D6CA2CA1CA7CTSK | |
| SCHEMBL2153708 | 0.78 | CA2 (0.45) | CYP2D6CA2CA1CA7CTSK | |
| SCHEMBL29918018 | 0.77 | KMT2A (0.55) | CYP2D6CA2CA1CA7CTSK | |
| SCHEMBL8560541 | 0.77 | CA2 (0.47) | CYP2D6CA2CA1CA7CTSK | |
| SCHEMBL235261 | 0.77 | CYP2D6 (0.45) | CYP2D6CA2CA1CA7CTSK | |
| SCHEMBL929382 | 0.77 | CA1 (0.53) | CYP2D6CA2CA1CA7CTSK | |
| SCHEMBL3484138 | 0.77 | CA1 (0.53) | CYP2D6CA2CA1CA7CTSK |
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-5817811-A | AMIDATION OF THE CORRESPOND ESTERIFIED AMINE COMPOUND WITH A CARBOXYLATED NUCLEOTIDE BASE | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-10-06 | — | — | US | disclosed |