Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN11 | Q06124 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 11/20 | 0.33 |
| ▸ | CA1 | P00915 | 10/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.33 |
| ▸ | IL1RN | P18510 | 1/20 | 0.32 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8909697 | 0.76 | PTPRB (0.39) | CA2CA1KEAP1IL1RNERAP1 | |
| SCHEMBL1975965 | 0.76 | CA1 (0.60) | CA2CA1CA12CA9 | |
| SCHEMBL1621848 | 0.76 | CA1 (0.35) | PTPN11CA2CA1KEAP1IL1RN | |
| SCHEMBL20032 | 0.76 | KEAP1 (0.60) | CA2CA1KEAP1CA12CA9 | |
| SCHEMBL688320 | 0.76 | PTPN11 (0.61) | PTPN11CA2CA1PTPN1MAPK1 | |
| SCHEMBL971159 | 0.75 | KEAP1 (0.58) | CA2CA1KEAP1IL1RNERAP1 | |
| SCHEMBL21033855 | 0.73 | CA1 (0.52) | CA2CA1ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL486249 | 0.73 | HPGD (0.59) | LMNAHPGDHTTSMN1; SMN2 | |
| SCHEMBL5388760 | 0.73 | ALDH1A1 (0.36) | PTPN11CA2CA1KEAP1IL1RN | |
| SCHEMBL15549491 | 0.71 | CA1 (0.61) | CA2CA1CA12CA9ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0836613-B1 | WATER-SOLUBLE ADENOSINE KINASE INHIBITORS | METABASIS THERAPEUTICS INC (US) | 2005-05-25 | — | — | EP | disclosed |
| US-5795977-A | Water soluble adenosine kinase inhibitors | METABASIS THERAPEUTICS, INC. (US) | 1998-08-18 | — | — | US | disclosed |
| EP-0836613-A1 | WATER-SOLUBLE ADENOSINE KINASE INHIBITORS | GENSIA, INC. (US) | 1998-04-22 | — | — | EP | disclosed |
| US-5726302-A | SUBSTITUTED 4-AMINO PYRROLO(2,3-D) PYRIMIDINE AND PYRAZOLO(3,4-D) PYRIMIDINE NUCLEOSIDE ANALOGS | GENSIA INC. (US) | 1998-03-10 | — | — | US | disclosed |
| WO-1996040707-A1 | WATER-SOLUBLE ADENOSINE KINASE INHIBITORS | GENSIA SICOR (US) | 1996-12-19 | — | — | WO | disclosed |