Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 0.49 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.47 |
| ▸ | TNK1 | Q13470 | 1/20 | 0.47 |
| ▸ | HTR7 | P34969 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 2/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.44 |
| ▸ | DRD3 | P35462 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1160652 | 0.86 | PARP1 (0.46) | PARP1HTR7DRD2ADRA1ADRD3 | |
| SCHEMBL2773033 | 0.84 | PARP1 (0.50) | PARP1TNK2TNK1HTR7DRD2 | |
| SCHEMBL707004 | 0.83 | KMT2A (0.55) | PARP1TNK2TNK1KMT2AHTT | |
| SCHEMBL532364 | 0.82 | PARP1 (0.51) | PARP1TNK2TNK1HTR7NPC1 | |
| Hydrochloric Acid SCHEMBL1160638 | 0.81 | PARP1 (0.50) | PARP1TNK2TNK1HTR7NPC1 | |
| Hydrochloric Acid SCHEMBL709177 | 0.81 | PARP1 (0.50) | PARP1TNK2TNK1HTR7NPC1 | |
| SCHEMBL4151138 | 0.71 | NR1H4 (0.61) | NPC1RAB9AKMT2AMAPK14POLB | |
| SCHEMBL16432438 | 0.69 | IGF1R (0.43) | HTR7KMT2APOLBHTTSMN1; SMN2 | |
| SCHEMBL11299409 | 0.69 | MAPT (0.65) | KMT2APOLBHTTSMN1; SMN2 | |
| SCHEMBL532249 | 0.69 | PARP1 (0.51) | PARP1TNK1DRD2DRD3HSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2459561-A1 | POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2012-06-06 | — | — | EP | disclosed |
| WO-2011014681-A1 | Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-02-03 | — | — | WO | disclosed |