Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | FAAH | O00519 | 2/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8976991 | 1.00 | NPSR1 (0.50) | NPSR1CA12CA1CA9FAAH | |
| SCHEMBL9840431 | 0.82 | NPSR1 (0.57) | NPSR1HCAR2GLO1MAPTTSHR | |
| SCHEMBL9840436 | 0.82 | NPSR1 (0.57) | NPSR1HCAR2GLO1MAPTTSHR | |
| SCHEMBL11488499 | 0.79 | NPSR1 (0.44) | NPSR1CA12CA1CA9FAAH | |
| Hydrochloric Acid SCHEMBL28082806 | 0.79 | NPSR1 (0.44) | NPSR1CA12CA1CA9HCAR2 | |
| SCHEMBL16683386 | 0.78 | CA1 (0.40) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL7772618 | 0.74 | NPSR1 (0.55) | NPSR1FAAHHCAR2ATMGLO1 | |
| SCHEMBL1244624 | 0.74 | NPSR1 (0.55) | NPSR1FAAHHCAR2ATMGLO1 | |
| SCHEMBL1244622 | 0.74 | NPSR1 (0.55) | NPSR1FAAHHCAR2ATMGLO1 | |
| SCHEMBL5612078 | 0.72 | NPSR1 (0.53) | NPSR1FAAHHCAR2ATMTSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0560019-B1 | Process for the preparation of dialkyl 2,3-pyridinedicarboxylate and derivatives thereof from an alpha, beta-unsaturated oxime and an aminobutenedioate | AMERICAN CYANAMID CO (US) | 1996-04-24 | — | — | EP | disclosed |
| EP-0560019-A1 | Process for the preparation of dialkyl 2,3-pyridinedicarboxylate and derivatives thereof from an alpha, beta-unsaturated oxime and an aminobutenedioate | AMERICAN CYANAMID COMPANY (US) | 1993-09-15 | — | — | EP | disclosed |
| US-5227491-A | Process for the preparation of dialkyl 2,3-pyridinedicarboxylate and derivatives thereof from an α,β-unsaturated oxime and an aminobutenedioate | AMERICAN CYANAMID COMPANY (US) | 1993-07-13 | — | — | US | disclosed |