Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.60 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.52 |
| ▸ | RELA | Q04206 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4779209 | 0.90 | PARP1 (0.71) | PARP1SLC6A4SLC6A3MAPTNPC1 | |
| SCHEMBL7044628 | 0.88 | PARP1 (0.60) | PARP1SLC6A3MAPTNPC1RAB9A | |
| SCHEMBL424209 | 0.83 | PARP1 (0.81) | PARP1NPC1RAB9ASMN1; SMN2PARP2 | |
| SCHEMBL31602072 | 0.83 | PARP1 (0.81) | PARP1NPC1RAB9ASMN1; SMN2PARP2 | |
| SCHEMBL4777457 | 0.81 | PARP1 (0.58) | PARP1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL21638317 | 0.77 | KDM4E (0.55) | PARP1NPC1RAB9AL3MBTL1KMT2A | |
| SCHEMBL7045177 | 0.75 | PARP1 (1.00) | PARP1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL71209 | 0.74 | KDM4E (0.74) | MAPTKMT2AKDM4EGAAATM | |
| SCHEMBL25168918 | 0.74 | KDM4E (0.61) | SLC6A4SLC6A3MAPTSMN1; SMN2KMT2A | |
| SCHEMBL27963658 | 0.73 | HPGD (0.64) | MAPTNPC1RAB9ASMN1; SMN2NFKB1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008015429-A2 | PHARMACEUTICAL COMPOUNDS | SENTINEL ONCOLOGY LIMITED (GB) | 2008-02-07 | — | — | WO | disclosed |
| WO-2008015429-A2 | PHARMACEUTICAL COMPOUNDS | SENTINEL ONCOLOGY LIMITED (GB) | 2008-02-07 | — | — | WO | disclosed |