Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.68 |
| ▸ | HTR3A | P46098 | 1/20 | 0.60 |
| ▸ | NPC1 | O15118 | 5/20 | 0.57 |
| ▸ | RAB9A | P51151 | 5/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | TP53 | P04637 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | GFER | P55789 | 1/20 | 0.55 |
| ▸ | DRD2 | P14416 | 3/20 | 0.55 |
| ▸ | DRD3 | P35462 | 3/20 | 0.55 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.53 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.53 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL3217994 | 0.91 | ACHE (0.80) | ACHENPC1RAB9AGAAKDM4E | |
| SCHEMBL3925663 | 0.88 | ACHE (0.76) | ACHENPC1RAB9AGAAKDM4E | |
| SCHEMBL16205099 | 0.86 | ACHE (0.68) | ACHENPC1RAB9AGAAKDM4E | |
| SCHEMBL3510801 | 0.84 | ACHE (0.74) | ACHEHTR3ANPC1RAB9AGAA | |
| SCHEMBL21018123 | 0.84 | ALDH1A1 (0.62) | NPC1RAB9AGAAKDM4ESMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL3511276 | 0.84 | HTR7 (0.57) | ACHEHTR3ANPC1RAB9AGAA | |
| SCHEMBL25274071 | 0.81 | PARP1 (0.52) | ACHENPC1RAB9AGAAKDM4E | |
| SCHEMBL30489012 | 0.81 | PARP1 (0.52) | ACHENPC1RAB9AGAAKDM4E | |
| SCHEMBL377758 | 0.81 | TNKS (0.62) | NPC1RAB9AKDM4EALDH1A1HSD17B10 | |
| SCHEMBL2760688 | 0.81 | DGAT1 (0.57) | ACHEHTR3ANPC1RAB9AGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-8669249-B2 | Poly (ADP-ribose) polymerase (PARP) inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-03-11 | — | — | US | disclosed |
| EP-2415767-A1 | Poly (ADP-ribose) Polymerase (PARP) Inhibitors | Takeda Pharmaceutical Company Limited (JP) | 2012-02-08 | — | — | EP | disclosed |