Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4221112 | 0.87 | MEN1 (0.39) | ALDH1A1KMT2ANPC1HTTRAB9A | |
| SCHEMBL718201 | 0.87 | MEN1 (0.39) | ALDH1A1KMT2ANPC1HTTRAB9A | |
| SCHEMBL2176148 | 0.87 | MEN1 (0.39) | ALDH1A1KMT2ANPC1HTTRAB9A | |
| SCHEMBL4510553 | 0.87 | MEN1 (0.39) | ALDH1A1KMT2ANPC1HTTRAB9A | |
| SCHEMBL5391773 | 0.80 | NAPRT (0.43) | ALDH1A1KMT2APOLBHTTKDM4E | |
| SCHEMBL5391766 | 0.80 | NAPRT (0.43) | ALDH1A1KMT2APOLBHTTKDM4E | |
| SCHEMBL3027776 | 0.79 | BACE1 (0.36) | — | |
| SCHEMBL4891373 | 0.79 | BACE1 (0.36) | — | |
| SCHEMBL464737 | 0.77 | MAOB (0.47) | — | |
| SCHEMBL5221308 | 0.77 | MME (0.39) | GRM2GRM3 |
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 |
|---|---|---|---|---|---|---|---|
| US-7872028-B2 | Diaminopropanol renin inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2011-01-18 | — | — | US | disclosed |