Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.64 |
| ▸ | RAB9A | P51151 | 4/20 | 0.64 |
| ▸ | PARP1 | P09874 | 6/20 | 0.61 |
| ▸ | BCHE | P06276 | 1/20 | 0.59 |
| ▸ | ACHE | P22303 | 1/20 | 0.59 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | TOP1 | P11387 | 1/20 | 0.47 |
| ▸ | CDC7 | O00311 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7042013 | 0.88 | PARP1 (0.71) | NPC1RAB9APARP1BCHEACHE | |
| SCHEMBL7111338 | 0.81 | PARP1 (0.80) | PARP1PARP2ALDH1A1 | |
| SCHEMBL7113559 | 0.81 | PARP1 (0.67) | NPC1RAB9APARP1BCHEACHE | |
| SCHEMBL7043497 | 0.79 | PARP1 (0.71) | PARP1PARP2KMT2A | |
| SCHEMBL1463396 | 0.79 | NPC1 (1.00) | NPC1RAB9ABCHEACHEMAPT | |
| SCHEMBL7046986 | 0.78 | PARP1 (0.70) | PARP1PARP2CDC7 | |
| SCHEMBL7115056 | 0.78 | PARP1 (0.78) | PARP1PARP2MAPTCYP1A2TOP1 | |
| SCHEMBL7045348 | 0.77 | PARP1 (0.69) | PARP1PARP2MAPT | |
| SCHEMBL7112515 | 0.76 | PARP1 (1.00) | NPC1RAB9APARP1PARP2 | |
| SCHEMBL28222646 | 0.76 | RAB9A (0.70) | NPC1RAB9ABCHEACHEMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003007959-A1 | QUINOXALINE DERIVATIVES WHICH HAVE PARP INHIBITORY ACTION | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2003-01-30 | — | — | WO | disclosed |