Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | QPCT | Q16769 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PSMD11 | O00231 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | PRKCI | P41743 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Piperidine SCHEMBL4768366 | 0.98 | PARP1 (0.41) | PARP1MAPTQPCTKDM4EALDH1A1 | |
| SCHEMBL903276 | 0.88 | PARP1 (0.52) | PARP1MAPTQPCTKDM4EALDH1A1 | |
| Pyrrolidine SCHEMBL4769098 | 0.87 | QPCT (0.48) | PARP1MAPTQPCTKDM4EPOLB | |
| Piperidine SCHEMBL4724630 | 0.85 | QPCT (0.47) | PARP1MAPTQPCTKDM4EPOLB | |
| Thiophene SCHEMBL28408804 | 0.77 | PARP1 (0.42) | PARP1MAPTQPCTKDM4EALDH1A1 | |
| Methylethylamine SCHEMBL4914029 | 0.75 | PARP1 (0.41) | PARP1MAPTQPCTKDM4EALDH1A1 | |
| Benzimidazole SCHEMBL4553022 | 0.75 | SMN1; SMN2 (0.40) | PARP1MAPTQPCTKDM4EALDH1A1 | |
| Benzimidazole SCHEMBL739311 | 0.74 | SMN1; SMN2 (0.39) | PARP1MAPTQPCTKDM4EALDH1A1 | |
| SCHEMBL28178019 | 0.74 | PSMD11 (0.49) | PARP1MAPTQPCTKDM4EALDH1A1 | |
| SCHEMBL903277 | 0.72 | PRKCI (0.59) | PARP1MAPTQPCTKDM4EALDH1A1 |
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-1994022-A2 | N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS | Wyeth a Corporation of the State of Delaware (US) | 2008-11-26 | — | — | EP | disclosed |
| WO-2007108936-A2 | N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS | WYETH (US) | 2007-09-27 | — | — | WO | disclosed |