Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 12/20 | 0.56 |
| ▸ | HCRTR2 | O43614 | 12/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.49 |
| ▸ | MMP2 | P08253 | 1/20 | 0.49 |
| ▸ | MMP9 | P14780 | 1/20 | 0.49 |
| ▸ | MMP13 | P45452 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4573101 | 1.00 | HCRTR1 (0.56) | HCRTR1HCRTR2LMNACYP3A4KMT2A | |
| SCHEMBL7491535 | 0.92 | KMT2A (0.58) | HCRTR1HCRTR2LMNACYP3A4KMT2A | |
| SCHEMBL10378752 | 0.92 | KMT2A (0.58) | HCRTR1HCRTR2LMNACYP3A4KMT2A | |
| SCHEMBL22452838 | 0.84 | CAPN1 (0.58) | HCRTR1HCRTR2KMT2AALDH1A1 | |
| SCHEMBL28681218 | 0.84 | CAPN1 (0.58) | HCRTR1HCRTR2KMT2AALDH1A1 | |
| SCHEMBL24434876 | 0.82 | KMT2A (0.47) | HCRTR1HCRTR2CYP3A4KMT2AMMP1 | |
| SCHEMBL4573689 | 0.82 | HCRTR1 (0.58) | HCRTR1HCRTR2KMT2A | |
| SCHEMBL4573528 | 0.82 | HCRTR1 (0.58) | HCRTR1HCRTR2KMT2A | |
| SCHEMBL21869749 | 0.81 | KMT2A (0.52) | HCRTR1HCRTR2KMT2A | |
| SCHEMBL4574026 | 0.81 | HCRTR1 (0.57) | HCRTR1HCRTR2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008031788-A1 | AMINOAZEPINE DERIVATIVES AS HIGHLY EFFICIENT INHIBITORS OF THE INDUCIBLE NITRIC OXIDE SYNTHASE | NYCOMED GMBH (DE) | 2008-03-20 | — | — | WO | disclosed |