Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 6/20 | 0.59 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.59 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | HPGD | P15428 | 2/20 | 0.59 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.59 |
| ▸ | RECQL | P46063 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.59 |
| ▸ | THPO | P40225 | 1/20 | 0.59 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL2183822 | 1.00 | PTGS1 (0.59) | PTGS1PTGS2MAPTCXCR1CXCR2 | |
| SCHEMBL8136359 | 1.00 | PTGS1 (0.59) | PTGS1PTGS2MAPTCXCR1CXCR2 | |
| SCHEMBL18205086 | 0.98 | PTGS1 (0.57) | PTGS1PTGS2MAPTCXCR1CXCR2 | |
| Propionic Acid SCHEMBL28843580 | 0.92 | PTGS1 (0.51) | PTGS1PTGS2MAPTCXCR1CXCR2 | |
| SCHEMBL15695561 | 0.89 | HDAC4 (0.51) | PTGS1PTGS2MAPTCXCR1CXCR2 | |
| SCHEMBL7395276 | 0.86 | HDAC4 (0.53) | PTGS1PTGS2MAPTCXCR1CXCR2 | |
| SCHEMBL602096 | 0.86 | PTGS2 (0.69) | PTGS1PTGS2MAPTCXCR1CXCR2 | |
| Fluorobenzene SCHEMBL28140330 | 0.84 | PTGS2 (0.62) | PTGS1PTGS2MAPTCXCR1CXCR2 | |
| SCHEMBL8498061 | 0.83 | HDAC4 (0.50) | PTGS1PTGS2MAPTCXCR1CXCR2 | |
| SCHEMBL30631966 | 0.83 | EPHX1 (0.50) | HDAC4HDAC7HDAC5CES2CES1 |
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-6054456-A | Substituted piperazine derivatives | MERCK SHARP & DOHME LTD. (GB) | 2000-04-25 | — | — | US | disclosed |
| WO-1997019943-A1 | SUBSTITUTED PIPERAZINE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1997-06-05 | — | — | WO | disclosed |