Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CCR1 | P32246 | 2/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.47 |
| ▸ | TUBB | P07437 | 2/20 | 0.46 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.44 |
| ▸ | MAPK9 | P45984 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.44 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.44 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 2/20 | 0.43 |
| ▸ | NHERF1 | O14745 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL1019879 | 0.88 | CCR1 (0.54) | CCR1KCNA5ELANEALDH1A1GAA | |
| SCHEMBL1016166 | 0.88 | ALDH1A1 (0.50) | CA1CA2CCR1TUBBNAMPT | |
| SCHEMBL3487251 | 0.83 | HSP90AA1 (0.52) | CA1CA2TUBBKCNA5ADORA2A | |
| SCHEMBL1017419 | 0.82 | LMNA (0.44) | CYP2C9ALDH1A1GAANPSR1 | |
| SCHEMBL1018589 | 0.80 | DDR1 (0.48) | — | |
| SCHEMBL15703882 | 0.80 | EPHX2 (0.46) | CA1CA2EPHX2KCNA5MAPK1 | |
| Hydrochloric Acid SCHEMBL1018259 | 0.79 | DDR1 (0.47) | EPHX2 | |
| Hydrochloric Acid SCHEMBL1016602 | 0.78 | CCR1 (0.48) | CCR1TUBBKCNA5MEN1KMT2A | |
| SCHEMBL1017517 | 0.78 | DDR1 (0.39) | MAPK1ALDH1A1HSD17B10 | |
| SCHEMBL1016771 | 0.77 | DDR1 (0.50) | ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2271624-A1 | IMINOPYRIDINE DERIVATIVES AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2011-01-12 | — | — | EP | claimed |
| WO-2009131245-A1 | IMINOPYRIDINE DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-10-29 | — | — | WO | claimed |
| EP-2271624-A1 | IMINOPYRIDINE DERIVATIVES AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2011-01-12 | — | — | EP | disclosed |
| WO-2009131245-A1 | IMINOPYRIDINE DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-10-29 | — | — | WO | disclosed |