Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | CTSK | P43235 | 10/20 | 0.58 |
| ▸ | CTSS | P25774 | 4/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL14483921 | 1.00 | CYP1A2 (0.61) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL29508434 | 1.00 | CYP1A2 (0.61) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL17369162 | 0.90 | CTSK (0.61) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL16379313 | 0.90 | CTSK (0.61) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL17449759 | 0.90 | CTSK (0.61) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL7308713 | 0.89 | CYP1A2 (0.59) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL29399499 | 0.89 | CYP1A2 (0.59) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL18082612 | 0.88 | CTSK (0.60) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL5040904 | 0.88 | CTSK (0.60) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL18130977 | 0.88 | CTSK (0.60) | CYP1A2CYP2C9CYP2C19HTTCTSK |
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 |
|---|---|---|---|---|---|---|---|
| EP-2517706-A2 | Methods and compounds for producing dipeptidyl peptidase IV inhibitors and intermediates thereof | Bristol-Myers Squibb Company (US) | 2012-10-31 | — | — | EP | disclosed |