Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.63 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA7 | P43166 | 1/20 | 0.51 |
| ▸ | CTSK | P43235 | 8/20 | 0.45 |
| ▸ | MLYCD | O95822 | 7/20 | 0.44 |
| ▸ | CTSS | P25774 | 4/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27426180 | 1.00 | CYP2D6 (0.63) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL29689264 | 0.91 | CYP2D6 (0.53) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL2385474 | 0.91 | CYP2D6 (0.53) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL1369013 | 0.91 | CYP2D6 (0.53) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL1369011 | 0.91 | CYP2D6 (0.53) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL8971704 | 0.91 | CYP2D6 (0.53) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL27437827 | 0.87 | CYP2D6 (0.50) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL8972192 | 0.87 | CYP2D6 (0.50) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL24345707 | 0.87 | CYP2D6 (0.54) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL25554343 | 0.87 | CYP2D6 (0.54) | CYP2D6CA1CA2CA7CTSK |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108026026-B | Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof | 夸德里加生物科学公司 | 2021-02-09 | — | — | CN | disclosed |
| US-5518903-A | HYDROLYSIS OF ESTER | CHISSO CORPORATION (JP) | 1996-05-21 | — | — | US | disclosed |