Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 7/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 4/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11536023 | 0.74 | LMNA (0.47) | ALDH1A1HTTLMNAPOLBKDM4E | |
| SCHEMBL12725981 | 0.73 | CYP1A2 (0.69) | ALDH1A1HPGDCNR1LMNAKDM4E | |
| SCHEMBL18168614 | 0.72 | ALDH1A1 (0.44) | ALDH1A1HPGDCNR1POLBGAA | |
| SCHEMBL1426839 | 0.71 | ALDH1A1 (0.52) | ALDH1A1HPGDCNR1POLBKDM4E | |
| SCHEMBL12725978 | 0.71 | CYP1A2 (0.70) | ALDH1A1HPGDCNR1LMNAKDM4E | |
| SCHEMBL2554545 | 0.70 | LMNA (0.48) | ALDH1A1LMNAKDM4EGAAMAPT | |
| SCHEMBL1898830 | 0.70 | LMNA (0.48) | ALDH1A1LMNAKDM4EGAAMAPT | |
| SCHEMBL1898794 | 0.68 | LMNA (0.51) | ALDH1A1HPGDLMNAPOLBKDM4E | |
| SCHEMBL241856 | 0.67 | ALDH1A1 (0.61) | ALDH1A1HPGDPOLBKDM4EGAA | |
| SCHEMBL289401 | 0.67 | RXFP1 (0.49) | ALDH1A1HPGDHTTLMNAPOLB |
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-2496230-A1 | IRE-1 ALPHA INHIBITORS | MannKind Corporation (US) | 2012-09-12 | — | — | EP | disclosed |
| WO-2011056744-A1 | IRE-1 α INHIBITORS | MANNKIND CORPORATION (US) | 2011-05-12 | — | — | WO | disclosed |