Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | IDE | P14735 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TOP2A | P11388 | 1/20 | 0.36 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4566466 | 0.82 | RXFP1 (0.37) | NAMPTMAPTHDAC1TSHRIDE | |
| SCHEMBL2415052 | 0.81 | MEP1B (0.43) | CYP3A4ALDH1A1KMT2AHDAC1 | |
| SCHEMBL19971357 | 0.80 | IDE (0.39) | NAMPTCYP3A4HTTHDAC1TSHR | |
| SCHEMBL4792188 | 0.79 | PTGER4 (0.32) | NAMPTCYP3A4MMP1MMP9MMP13 | |
| SCHEMBL19971346 | 0.79 | IDE (0.41) | NAMPTMEN1KMT2AHDAC1IDE | |
| SCHEMBL19971349 | 0.79 | IDE (0.40) | NAMPTHTTTSHRIDECHRNB4 | |
| SCHEMBL1157226 | 0.77 | ALDH1A1 (0.49) | NAMPTALDH1A1MEN1KMT2AHDAC1 | |
| SCHEMBL1157224 | 0.77 | NAMPT (0.43) | NAMPTALDH1A1LMNAKMT2AHDAC1 | |
| SCHEMBL2411499 | 0.77 | ADAM17 (0.35) | MEN1LMNAHTTKMT2AHDAC1 | |
| SCHEMBL1156490 | 0.77 | ALDH1A1 (0.49) | ALDH1A1MEN1LMNAKMT2AHDAC1 |
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-2364979-A1 | Pyrrole compounds | Takeda Pharmaceutical Company Limited (JP) | 2011-09-14 | — | — | EP | disclosed |