Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.44 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL473103 | 0.92 | TDP1 (0.55) | SMN1; SMN2CYP1A2CYP2C19TDP1TSHR | |
| SCHEMBL15285491 | 0.87 | MMEL1 (0.52) | RAB9ALMNA | |
| SCHEMBL474570 | 0.86 | SMN1; SMN2 (0.53) | SMN1; SMN2CYP1A2CYP2C19TDP1TSHR | |
| SCHEMBL14919094 | 0.83 | MGLL (0.45) | SMN1; SMN2CYP1A2CYP2C19HDAC1TSHR | |
| SCHEMBL27669569 | 0.78 | LMNA (0.51) | SMN1; SMN2CYP1A2CYP2C19HDAC1TSHR | |
| SCHEMBL10436016 | 0.78 | HDAC3 (0.56) | SMN1; SMN2CYP1A2CYP2C19TDP1HDAC1 | |
| SCHEMBL3806762 | 0.77 | EPHX2 (0.56) | SMN1; SMN2CYP1A2CYP2C19TDP1TSHR | |
| SCHEMBL9936982 | 0.76 | MME (0.61) | — | |
| SCHEMBL15201783 | 0.76 | MME (0.61) | — | |
| SCHEMBL7434407 | 0.76 | GAA (0.60) | SMN1; SMN2CYP1A2CYP2C19TDP1HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2651900-A1 | NEPRILYSIN INHIBITORS | Theravance, Inc. (US) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012082857-A1 | NEPRILYSIN INHIBITORS | THERAVANCE, INC. (US) | 2012-06-21 | — | — | WO | disclosed |