Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | METAP1 | P53582 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 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 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.38 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.38 |
| ▸ | RET | P07949 | 5/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PDE1A | P54750 | 1/20 | 0.35 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16200166 | 0.80 | KDM4E (0.42) | METAP1KDM4ELMNACYP1A2POLB | |
| SCHEMBL13184353 | 0.72 | DYRK1A (0.41) | ADORA1POLBHTT | |
| SCHEMBL15048580 | 0.69 | KDM4E (0.45) | ADORA1METAP1KDM4ELMNACYP1A2 | |
| SCHEMBL13683095 | 0.69 | CA1 (0.38) | ADORA1METAP1KDM4ELMNACYP1A2 | |
| SCHEMBL30078146 | 0.66 | ALDH1A1 (0.46) | ADORA1METAP1KDM4ELMNACYP1A2 | |
| SCHEMBL18104260 | 0.64 | KDM4E (0.46) | METAP1KDM4ELMNACYP1A2POLB | |
| Dipyridyl SCHEMBL14311808 | 0.63 | KDM4E (0.93) | METAP1KDM4ELMNACYP1A2POLB | |
| SCHEMBL20688200 | 0.62 | L3MBTL1 (0.50) | KDM4ECYP1A2RETNPC1PDE1A | |
| SCHEMBL4140079 | 0.62 | KDM4E (0.62) | METAP1KDM4ELMNACYP1A2POLB | |
| SCHEMBL31568869 | 0.62 | KDM4E (0.62) | METAP1KDM4ELMNACYP1A2POLB |
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 |
|---|---|---|---|---|---|---|---|
| US-7589199-B2 | Substituted piperazines | CHEMOCENTRYX, INC. (US) | 2009-09-15 | — | — | US | disclosed |
| US-7435830-B2 | Bicyclic and bridged nitrogen heterocycles | CHEMOCENTRYX, INC. (US) | 2008-10-14 | — | — | US | disclosed |