Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | CCR9 | P51686 | 1/20 | 0.32 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.32 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.32 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14044140 | 0.80 | CCR9 (0.38) | CCNCCDK8MAPK1CCR9PROKR1 | |
| SCHEMBL3356107 | 0.73 | UHRF1 (0.50) | ALDH1A1CCNCCDK8CCR9PROKR1 | |
| SCHEMBL14044077 | 0.72 | DAO (0.50) | ALDH1A1GAACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL13683139 | 0.70 | GRM5 (0.35) | ALDH1A1GAAHPGDPOLBRECQL | |
| SCHEMBL13184399 | 0.70 | ALDH1A1 (0.33) | ALDH1A1GAAHPGDCYP1A2POLB | |
| SCHEMBL18752578 | 0.69 | UHRF1 (0.42) | ALDH1A1CCNCCDK8PROKR1 | |
| SCHEMBL14044112 | 0.68 | GRM2 (0.36) | ALDH1A1GAAHPGDPOLBRECQL | |
| SCHEMBL171417 | 0.66 | KDM4C (0.46) | ALDH1A1GAAHPGDLRRK2MAPK1 | |
| SCHEMBL16139761 | 0.66 | KMT2A (0.57) | ALDH1A1HPGDPOLBCYP3A4RECQL | |
| SCHEMBL2686060 | 0.65 | KCNH2 (0.38) | ALDH1A1GAAHPGDCYP1A2CYP3A4 |
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-8324216-B2 | Substituted piperazines | CHEMOCENTRYX, INC. (US) | 2012-12-04 | — | — | US | disclosed |