Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.59 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 3/20 | 0.53 |
| ▸ | MAOB | P27338 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | MGAM | O43451 | 1/20 | 0.51 |
| ▸ | SI | P14410 | 1/20 | 0.51 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.51 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.50 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.49 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4855249 | 0.87 | IKBKE (0.46) | XDHIKBKEGAAMAOBRAB9A | |
| SCHEMBL9905389 | 0.86 | PIK3CD (0.56) | XDHIKBKEGAAMAOBMAPT | |
| SCHEMBL9905291 | 0.80 | MAOB (0.48) | XDHIKBKEGAAMAOBRAB9A | |
| SCHEMBL4858146 | 0.79 | ALDH1A1 (0.62) | XDHGAARAB9ASMN1; SMN2MAPT | |
| SCHEMBL3927189 | 0.78 | MAOB (0.50) | XDHIKBKEGAAMAOBRAB9A | |
| SCHEMBL168659 | 0.78 | POLB (0.61) | GAARAB9AL3MBTL1POLBLMNA | |
| SCHEMBL9905228 | 0.77 | BRD4 (0.52) | MAPTL3MBTL1POLBMCL1 | |
| SCHEMBL13986930 | 0.77 | MCL1 (0.55) | XDHSMN1; SMN2GSTP1MCL1ALDH1A1 | |
| SCHEMBL22139476 | 0.77 | PTGS1 (0.67) | XDHGAAMAOBRAB9ASMN1; SMN2 | |
| SCHEMBL570256 | 0.76 | RAB9A (0.56) | XDHIKBKEGAAMAOBRAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104884458-B | fused heterocyclic compounds as protein kinase inhibitors | 百济神州有限公司 | 2017-04-12 | — | — | CN | disclosed |
| CN-103476252-A | Pyrazolyl guanidines F1F0Inhibitors of ATPase and therapeutic uses thereof | LYCERA CORP | 2013-12-25 | — | — | CN | disclosed |
| EP-2648511-A1 | PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF | Lycera Corporation (US) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012078874-A1 | PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF | LYCERA CORPORATION (US) | 2012-06-14 | — | — | WO | disclosed |