Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 9/20 | 0.49 |
| ▸ | CTSS | P25774 | 8/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | METAP2 | P50579 | 2/20 | 0.41 |
| ▸ | METAP1 | P53582 | 2/20 | 0.41 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL15663287 | 0.86 | CYP1A2 (0.50) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9980658 | 0.85 | KMT2A (0.54) | CTSKCTSSCAPN1MEN1GAA | |
| SCHEMBL10144023 | 0.85 | CTSS (0.59) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9352831 | 0.84 | CTSL (0.58) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16667985 | 0.84 | CTSL (0.58) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL21065384 | 0.82 | CYP1A2 (0.49) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL21065379 | 0.82 | CYP1A2 (0.49) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL21065378 | 0.82 | CYP1A2 (0.49) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL15663571 | 0.82 | CYP1A2 (0.49) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29918239 | 0.82 | TDP1 (0.56) | CTSKCTSSCAPN1MEN1GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2391620-A1 | ALKYLAMINE-SUBSTITUTED DICYANOPYRIDINE AND AMINO ACID ESTER PRODRUGS THEREOF | Bayer Pharma Aktiengesellschaft (DE) | 2011-12-07 | — | — | EP | disclosed |
| WO-2010086101-A1 | ALKYLAMINE-SUBSTITUTED DICYANOPYRIDINE AND AMINO ACID ESTER PRODRUGS THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-08-05 | — | — | WO | disclosed |