Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.60 |
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4284153 | 0.78 | CES1 (0.61) | MAPK1CES1CA1CA2TDP1 | |
| SCHEMBL21871 | 0.77 | MAPK1 (0.72) | MAPK1CES1CA1CA2TDP1 | |
| SCHEMBL10861088 | 0.77 | MAPK1 (0.72) | MAPK1CES1CA1CA2TDP1 | |
| SCHEMBL27344495 | 0.77 | CES1 (0.53) | MAPK1CES1CA1CA2TDP1 | |
| SCHEMBL8726612 | 0.75 | MAPK1 (0.69) | MAPK1CES1CA1CA2TDP1 | |
| SCHEMBL27765 | 0.75 | MAPK1 (1.00) | MAPK1CES1CA1CA2TDP1 | |
| SCHEMBL16089346 | 0.74 | MAPK1 (0.67) | MAPK1CES1CA1CA2TDP1 | |
| SCHEMBL16075909 | 0.74 | MAPK1 (0.67) | MAPK1CES1CA1CA2TDP1 | |
| Ammonia Solution, Strong SCHEMBL17180526 | 0.74 | MAPK1 (0.96) | MAPK1CES1CA1CA2TDP1 | |
| SCHEMBL9322101 | 0.74 | MAPK1 (0.67) | MAPK1CES1CA1CA2TDP1 |
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-2411012-A1 | NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION | MSD K.K. (JP) | 2012-02-01 | — | — | EP | disclosed |