Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NSD2 | O96028 | 1/20 | 0.44 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | PTGES | O14684 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17986577 | 0.92 | PDK1 (0.43) | NSD2PDK1MAOAROCK2MEN1 | |
| SCHEMBL16620157 | 0.89 | ADRB3 (0.49) | — | |
| SCHEMBL16620158 | 0.89 | ADRB3 (0.49) | — | |
| SCHEMBL16629889 | 0.81 | PDK1 (0.47) | NSD2PDK1ACACBNPC1 | |
| SCHEMBL16619473 | 0.81 | ADRB3 (0.38) | NSD2PDK1 | |
| SCHEMBL16619476 | 0.81 | ADRB3 (0.38) | NSD2PDK1 | |
| SCHEMBL16629920 | 0.78 | MAOA (0.41) | PDK1MAOAROCK2MEN1KMT2A | |
| SCHEMBL16619399 | 0.76 | ADRB3 (0.49) | — | |
| SCHEMBL21278213 | 0.76 | ADRB3 (0.50) | — | |
| SCHEMBL16619397 | 0.76 | ADRB3 (0.49) | — |
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-2015050798-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-04-09 | — | — | WO | disclosed |