Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18995117 | 1.00 | CYP19A1 (0.35) | CYP19A1NPC1ALDH1A1LMNAMAPT | |
| SCHEMBL12306249 | 0.93 | CYP19A1 (0.32) | CYP19A1MAPTSMN1; SMN2 | |
| SCHEMBL19500215 | 0.86 | — | — | |
| SCHEMBL12306247 | 0.86 | CYP19A1 (0.40) | CYP19A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL15944506 | 0.84 | CYP19A1 (0.42) | CYP19A1NPC1LMNARAB9ASMN1; SMN2 | |
| SCHEMBL16731581 | 0.84 | CYP19A1 (0.42) | CYP19A1NPC1LMNARAB9ASMN1; SMN2 | |
| SCHEMBL15944505 | 0.84 | CYP19A1 (0.42) | CYP19A1NPC1LMNARAB9ASMN1; SMN2 | |
| SCHEMBL12255658 | 0.84 | CYP19A1 (0.42) | CYP19A1NPC1LMNARAB9ASMN1; SMN2 | |
| SCHEMBL16731577 | 0.80 | — | — | |
| SCHEMBL18687110 | 0.80 | CYP19A1 (0.33) | CYP19A1MAPT |
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-9944654-B2 | Nargenicin compounds and uses thereof as antibacterial agents | MERCK SHARP & DOHME CORP. (US) | 2018-04-17 | — | — | US | disclosed |