Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.39 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.39 |
| ▸ | CASP6 | P55212 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4576468 | 0.86 | SLC22A12 (0.50) | SLC22A12ALDH1A1LMNARAB9ACYP1A2 | |
| SCHEMBL8477318 | 0.80 | RAB9A (0.45) | SLC22A12ALDH1A1LMNARAB9ACYP1A2 | |
| SCHEMBL8478328 | 0.79 | PGK1 (0.35) | SLC22A12PGK1 | |
| SCHEMBL22685832 | 0.79 | CYP1A2 (0.38) | SLC22A12ALDH1A1LMNARAB9ACYP1A2 | |
| SCHEMBL31037386 | 0.79 | CYP1A2 (0.38) | SLC22A12ALDH1A1LMNARAB9ACYP1A2 | |
| SCHEMBL12208517 | 0.78 | CYP3A4 (0.46) | SLC22A12ALDH1A1LMNACYP1A2CYP3A4 | |
| SCHEMBL18301791 | 0.78 | SLC22A12 (0.43) | SLC22A12ALDH1A1RAB9AKDM4EMAPT | |
| SCHEMBL6171138 | 0.77 | ALDH1A1 (0.43) | SLC22A12ALDH1A1LMNACYP1A2CYP3A4 | |
| SCHEMBL7470848 | 0.77 | KDM4E (0.48) | SLC22A12ALDH1A1LMNARAB9ACYP1A2 | |
| SCHEMBL30970294 | 0.77 | KDM4E (0.48) | SLC22A12ALDH1A1LMNARAB9ACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0858459-B1 | NOVEL ACID PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR, USE THEREOF AS DRUGS, NOVEL USE THEREFOR, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES | AVENTIS PHARMA SA (FR) | 2002-09-04 | — | — | EP | disclosed |
| EP-0858459-A1 | NOVEL ACID PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR, USE THEREOF AS DRUGS, NOVEL USE THEREFOR, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES | HOECHST MARION ROUSSEL (FR) | 1998-08-19 | — | — | EP | disclosed |
| WO-1997015570-A1 | NOVEL ACID PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR, USE THEREOF AS DRUGS, NOVEL USE THEREFOR, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES | HOECHST MARION ROUSSEL (FR) | 1997-05-01 | — | — | WO | disclosed |
| WO-1996012706-A1 | NOVEL ACID PYRAZOLE AND PYRAZOLONE DERIVATIVES FOR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS | ROUSSEL UCLAF (FR) | 1996-05-02 | — | — | WO | disclosed |