Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 1/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.56 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.56 |
| ▸ | CCR1 | P32246 | 1/20 | 0.53 |
| ▸ | CCR5 | P51681 | 1/20 | 0.53 |
| ▸ | CCR8 | P51685 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.51 |
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.51 |
| ▸ | LMNA | P02545 | 5/20 | 0.51 |
| ▸ | TSHR | P16473 | 5/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | KDM1A | O60341 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28452211 | 0.81 | HSP90AA1 (0.53) | CYP1A2CYP2C19ALDH1A1CYP2D6CLK4 | |
| SCHEMBL28987610 | 0.79 | KDM1A (0.46) | CYP1A2CYP2C19ALDH1A1CYP2D6CLK4 | |
| SCHEMBL987521 | 0.78 | CCR1 (0.61) | ADRA1DADRA1AADRA1BCCR1CCR5 | |
| SCHEMBL29496935 | 0.78 | SMN1; SMN2 (0.62) | ADRA1DADRA1AADRA1BCCR1CCR5 | |
| SCHEMBL2039527 | 0.78 | SMN1; SMN2 (0.62) | ADRA1DADRA1AADRA1BCCR1CCR5 | |
| SCHEMBL15344911 | 0.78 | CCR1 (0.52) | ADRA1DADRA1AADRA1BCCR1CCR5 | |
| SCHEMBL4765389 | 0.78 | FYN (0.51) | CYP1A2CYP2C19ALDH1A1CYP2D6CLK4 | |
| SCHEMBL4128874 | 0.78 | CYP1A2 (0.48) | CYP1A2CYP2C19ALDH1A1CYP2D6CLK4 | |
| SCHEMBL13801591 | 0.77 | CCR1 (0.59) | ADRA1DADRA1AADRA1BCCR1CCR5 | |
| SCHEMBL15476086 | 0.77 | CCR1 (0.59) | ADRA1DADRA1AADRA1BCCR1CCR5 |
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-2010005783-A1 | PYRROLIDINYL AND PIPERIDINYL COMPOUNDS USEFUL AS NHE-1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-01-14 | — | — | WO | disclosed |