Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | CCR8 | P51685 | 1/20 | 0.38 |
| ▸ | METAP1 | P53582 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.38 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16200049 | 0.82 | ADORA2A (0.49) | ADORA2AADORA1KDM4ENPC1HTR2C | |
| SCHEMBL13184334 | 0.80 | KDM4E (0.45) | KDM4ENPC1CYP1A2LMNAPOLB | |
| SCHEMBL13184335 | 0.72 | DYRK1A (0.41) | ADORA2ALMNA | |
| SCHEMBL16535450 | 0.71 | ADORA2A (0.48) | ADORA2AADORA1KDM4ENPC1HTR2C | |
| SCHEMBL16535137 | 0.71 | ADORA1 (0.64) | ADORA2AADORA1HTR2C | |
| SCHEMBL10330269 | 0.70 | HTR2C (0.50) | ADORA2AADORA1KDM4ENPC1HTR2C | |
| SCHEMBL13184324 | 0.70 | CHRNA7 (0.32) | ADORA2AADORA1 | |
| SCHEMBL11591121 | 0.69 | HTR2C (0.49) | ADORA2AADORA1KDM4ENPC1HTR2C | |
| SCHEMBL10330278 | 0.69 | KDM4E (0.48) | ADORA2AADORA1KDM4ENPC1POLB | |
| SCHEMBL18030327 | 0.67 | NPC1 (0.51) | ADORA2AADORA1KDM4ENPC1HTR2C |
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-7589199-B2 | Substituted piperazines | CHEMOCENTRYX, INC. (US) | 2009-09-15 | — | — | US | disclosed |