Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 2/20 | 0.36 |
| ▸ | PLG | P00747 | 2/20 | 0.36 |
| ▸ | PLAU | P00749 | 2/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6634335 | 0.78 | KDM4E (0.59) | KDM4ECYP3A4PDPK1GAAHIF1A | |
| SCHEMBL4971065 | 0.76 | CDK4 (0.40) | KDM4ECYP3A4PDPK1GAAHIF1A | |
| Hydrochloric Acid SCHEMBL4998206 | 0.75 | PTPN22 (0.42) | KDM4ECYP3A4PDPK1GAARAB9A | |
| SCHEMBL588020 | 0.73 | CNR2 (0.39) | KDM4ECYP3A4PDPK1GAAHTR2A | |
| SCHEMBL17306424 | 0.70 | ALDH1A1 (0.59) | KDM4EGAARAB9AHPGDATM | |
| Acetic Acid SCHEMBL28144969 | 0.70 | KDM4E (0.56) | KDM4ECYP3A4PDPK1GAAHIF1A | |
| SCHEMBL6556918 | 0.67 | PIM1 (0.43) | CYP3A4RAB9ATSHRHPGDNPC1 | |
| SCHEMBL10816071 | 0.66 | PDPK1 (0.47) | KDM4ECYP3A4PDPK1GAAJAK2 | |
| SCHEMBL5598284 | 0.65 | PLAU (0.59) | CYP3A4PLGPLAURAB9ATSHR | |
| SCHEMBL2310989 | 0.65 | KDM4E (0.55) | KDM4ECYP3A4PDPK1GAAHIF1A |
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-0960102-A1 | AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN | Du Pont Pharmaceuticals Company (US) | 1999-12-01 | — | — | EP | disclosed |
| WO-1998001428-A1 | AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN | DU PONT PHARMACEUTICALS COMPANY (US) | 1998-01-15 | — | — | WO | disclosed |