Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ALPL | P05186 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | TTK | P33981 | 1/20 | 0.42 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.42 |
| ▸ | TNKS | O95271 | 2/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.38 |
| ▸ | CDC7 | O00311 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3067812 | 0.86 | HPGD (0.55) | PARP1KDM4EGAAPDPK1CYP3A4 | |
| SCHEMBL18228562 | 0.86 | HPGD (0.55) | PARP1KDM4EGAAPDPK1CYP3A4 | |
| SCHEMBL4053256 | 0.84 | HPGD (0.58) | PARP1KDM4EGAAPDPK1CYP3A4 | |
| SCHEMBL29468202 | 0.83 | KDM4E (0.54) | PARP1KDM4EGAAPDPK1CYP3A4 | |
| SCHEMBL1132419 | 0.83 | KDM4E (0.54) | PARP1KDM4EGAAPDPK1CYP3A4 | |
| SCHEMBL23536581 | 0.81 | LRRK2 (0.56) | KDM4EGAAHPGDALDH1A1MAPK10 | |
| SCHEMBL1545498 | 0.81 | CDC7 (0.53) | PARP1KDM4EALDH1A1MAPK10CDC7 | |
| Hydrochloric Acid SCHEMBL5767318 | 0.81 | KDM4E (0.56) | PARP1KDM4EGAAPDPK1CYP3A4 | |
| SCHEMBL9778335 | 0.79 | KMT2A (0.50) | PARP1CYP3A4HPGDALDH1A1TNKS | |
| SCHEMBL23570187 | 0.79 | MAPK1 (0.44) | PARP1KDM4EGAAPDPK1CYP3A4 |
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-5854263-A | 1- (1,4-benzodioxanyl)alkyl!-3-(heteroaryl) pyrrolidines and related compounds and their therapeutic utility | HOECHST MARION ROUSSEL, INC. (US) | 1998-12-29 | — | — | US | disclosed |