Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.46 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL31235495 | 0.84 | CYP1A2 (0.51) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1MAPT | |
| SCHEMBL2414269 | 0.84 | CYP1A2 (0.51) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1MAPT | |
| SCHEMBL5127673 | 0.83 | L3MBTL1 (0.60) | TSHRSMN1; SMN2CYP1A2CYP2C19ALDH1A1 | |
| Methane SCHEMBL27317936 | 0.83 | CYP1A2 (0.50) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1MAPT | |
| SCHEMBL28042930 | 0.82 | TSHR (0.60) | TSHRSMN1; SMN2CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL10329866 | 0.82 | TSHR (0.50) | TSHRSMN1; SMN2CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL6717448 | 0.81 | TSHR (0.66) | TSHRSMN1; SMN2CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL5127677 | 0.81 | P4HA1 (0.53) | TSHRSMN1; SMN2CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL10329920 | 0.79 | SMN1; SMN2 (0.51) | TSHRSMN1; SMN2CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL15721331 | 0.78 | ESR1 (0.50) | TSHRSMN1; SMN2CYP1A2CYP2C19ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5534635-A | Process for preparing pyridine-2-carboxamides | HOFFMANN-LA ROCHE INC. (US) | 1996-07-09 | — | — | US | disclosed |
| US-5380861-A | Process for preparing pyridine 2-carboxamides | HOFFMANN-LA ROCHE INC. (US) | 1995-01-10 | — | — | US | disclosed |