Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.41 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | NPY2R | P49146 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL1160490 | 0.86 | PARP1 (0.49) | PARP1HTR7HTTPOLBNPC1 | |
| SCHEMBL6125348 | 0.83 | ALDH1A3 (0.51) | PARP1HTR7HTTPOLBNPC1 | |
| SCHEMBL531688 | 0.82 | HTT (0.51) | PARP1SCN9AHTR7HTTPOLB | |
| SCHEMBL707999 | 0.82 | LMNA (0.56) | PARP1HTTPOLBLMNAALDH1A1 | |
| SCHEMBL532443 | 0.81 | HTR3A (0.51) | PARP1SCN9AHTR7HTTPOLB | |
| Hydrochloric Acid SCHEMBL710272 | 0.80 | HTR3A (0.50) | PARP1SCN9AHTR7POLBNPC1 | |
| SCHEMBL23073596 | 0.75 | HTR7 (0.45) | PARP1SCN9AHTR7HTTPOLB | |
| SCHEMBL11299409 | 0.72 | MAPT (0.65) | HTTPOLBLMNAALDH1A1 | |
| SCHEMBL16432438 | 0.72 | IGF1R (0.43) | HTR7HTTPOLBLMNAALDH1A1 | |
| SCHEMBL4437150 | 0.69 | KDM4E (0.56) | POLBNPC1RAB9AALDH1A1HPGD |
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 |