Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | TNKS | O95271 | 2/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 6/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.40 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1545498 | 0.83 | CDC7 (0.53) | PARP1MAPK1CDC7KDM4EALDH1A1 | |
| SCHEMBL3067812 | 0.80 | HPGD (0.55) | PARP1TNKSPARP2MAPK1KDM4E | |
| SCHEMBL18228562 | 0.80 | HPGD (0.55) | PARP1TNKSPARP2MAPK1KDM4E | |
| SCHEMBL13898957 | 0.80 | HRH4 (0.46) | HRH3LRRK2MAPK1 | |
| SCHEMBL9778335 | 0.80 | KMT2A (0.50) | PARP1TNKSPARP2CYP3A4ALDH1A1 | |
| SCHEMBL4053256 | 0.79 | HPGD (0.58) | PARP1MAPK1KDM4EPDPK1CYP3A4 | |
| SCHEMBL13898958 | 0.78 | LRRK2 (0.51) | LRRK2 | |
| SCHEMBL1132419 | 0.78 | KDM4E (0.54) | PARP1LRRK2KDM4EPDPK1CYP3A4 | |
| SCHEMBL29468202 | 0.78 | KDM4E (0.54) | PARP1LRRK2KDM4EPDPK1CYP3A4 | |
| SCHEMBL8714004 | 0.78 | PARP1 (0.44) | PARP1TNKSPARP2LRRK2MAPK1 |
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-7253165-B2 | Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists | AVENTIS PHARMACEUTICALS INC. (US) | 2007-08-07 | — | — | US | disclosed |