Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 2/20 | 0.47 |
| ▸ | NOS3 | P29474 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | GABRP | O00591 | 1/20 | 0.39 |
| ▸ | GABRD | O14764 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15464119 | 0.87 | IL1B (0.49) | NOS3NOS2ADRB2NPC1CASP3 | |
| SCHEMBL16450612 | 0.86 | NUDT1 (0.50) | NUDT1ALDH1A1L3MBTL1GABRPGABRD | |
| SCHEMBL19497540 | 0.83 | EPHX2 (0.41) | NUDT1NOS3NOS2ADRB2NPC1 | |
| SCHEMBL3149643 | 0.82 | NOS3 (0.48) | NOS3NOS2ADRB2NPC1CASP3 | |
| SCHEMBL31121348 | 0.82 | NOS3 (0.52) | NOS3NOS2ADRB2NPC1CASP3 | |
| SCHEMBL677234 | 0.82 | NOS3 (0.52) | NOS3NOS2ADRB2NPC1CASP3 | |
| SCHEMBL25452970 | 0.79 | NUDT1 (0.37) | NUDT1NOS3NOS2ADRB2NPC1 | |
| SCHEMBL15471437 | 0.79 | NOS3 (0.46) | NOS3NOS2ADRB2NPC1CASP3 | |
| SCHEMBL13020077 | 0.79 | NOS3 (0.48) | NOS3NOS2ADRB2NPC1CASP3 | |
| SCHEMBL22474623 | 0.78 | NOS3 (0.44) | NOS3NOS2ADRB2NPC1CASP3 |
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-2014022528-A1 | ANTIDIABETIC TRICYCLIC COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2014-02-06 | — | — | WO | disclosed |