Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | NPY1R | P25929 | 1/20 | 0.51 |
| ▸ | NPY2R | P49146 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | BCHE | P06276 | 1/20 | 0.51 |
| ▸ | REN | P00797 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.48 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8905614 | 1.00 | KDM4E (0.51) | KDM4ELMNAHTTSMN1; SMN2NPY1R | |
| SCHEMBL8906257 | 0.87 | REN (0.46) | RENSIGMAR1 | |
| SCHEMBL8906253 | 0.87 | REN (0.46) | RENSIGMAR1 | |
| SCHEMBL30472720 | 0.82 | SIGMAR1 (0.55) | KDM4ELMNAHTTSMN1; SMN2NPY1R | |
| SCHEMBL21066487 | 0.82 | SIGMAR1 (0.55) | KDM4ELMNAHTTSMN1; SMN2NPY1R | |
| SCHEMBL16930273 | 0.82 | SIGMAR1 (0.55) | KDM4ELMNAHTTSMN1; SMN2NPY1R | |
| SCHEMBL3058722 | 0.81 | SIGMAR1 (0.57) | KDM4ELMNAHTTSMN1; SMN2NPY1R | |
| SCHEMBL2060386 | 0.81 | MAPK1 (0.63) | KDM4ELMNAHTTSMN1; SMN2NPY1R | |
| SCHEMBL4300113 | 0.81 | REN (0.52) | REN | |
| SCHEMBL4300111 | 0.81 | REN (0.52) | REN |
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 |
|---|---|---|---|---|---|---|---|
| US-5659065-A | CHEMICAL INTERMEDIATES FOR MEDICINAL ACTIVE AGENTS | NOVARTIS CORPORATION (US) | 1997-08-19 | — | — | US | disclosed |
| EP-0678500-A1 | Alpha-amino alkanoic acids and reduction products as intermediates in the preparation of renin inhibitors | CIBA-GEIGY AG (CH) | 1995-10-25 | — | — | EP | disclosed |