Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CCR1 | P32246 | 1/20 | 0.44 |
| ▸ | TUBB | P07437 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 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 | |
|---|---|---|---|---|
| SCHEMBL1019865 | 0.88 | CA1 (0.50) | ALDH1A1MEN1KMT2ACA1CA2 | |
| Hydrochloric Acid SCHEMBL1014557 | 0.88 | CCR1 (0.49) | ALDH1A1MEN1KMT2ANPC1SMN1; SMN2 | |
| SCHEMBL3487251 | 0.80 | HSP90AA1 (0.52) | ALDH1A1KMT2ACA1CA2KDM4E | |
| SCHEMBL1019879 | 0.78 | CCR1 (0.54) | ALDH1A1MEN1KMT2ACCR1LMNA | |
| Hydrochloric Acid SCHEMBL1016602 | 0.76 | CCR1 (0.48) | MEN1KMT2ACCR1TUBBLMNA | |
| SCHEMBL1017419 | 0.73 | LMNA (0.44) | ALDH1A1KDM4ENPSR1LMNAMAPT | |
| SCHEMBL1018589 | 0.72 | DDR1 (0.48) | — | |
| SCHEMBL15703882 | 0.72 | EPHX2 (0.46) | ALDH1A1CA1CA2KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL1019262 | 0.72 | MEN1 (0.41) | ALDH1A1MEN1KMT2AKDM4ECCR1 | |
| Hydrochloric Acid SCHEMBL1018259 | 0.72 | DDR1 (0.47) | — |
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-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 |