Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 1/20 | 0.35 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | HMGCR | P04035 | 2/20 | 0.30 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | NR1I2 | O75469 | 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 | |
|---|---|---|---|---|
| SCHEMBL5665914 | 1.00 | GABBR2 (0.35) | GABBR2GABBR1PTPN1EGFRTNFRSF1A | |
| SCHEMBL5666377 | 0.89 | GABBR2 (0.34) | GABBR2GABBR1PTPN1EGFRCA1 | |
| SCHEMBL6671485 | 0.89 | GABBR2 (0.34) | GABBR2GABBR1PTPN1EGFRCA1 | |
| SCHEMBL5667694 | 0.88 | HMGCR (0.40) | GABBR2GABBR1HMGCRGPR55NR1I2 | |
| SCHEMBL5667689 | 0.88 | HMGCR (0.40) | GABBR2GABBR1HMGCRGPR55NR1I2 | |
| SCHEMBL5669996 | 0.87 | GABBR2 (0.37) | GABBR2GABBR1TNFRSF1ACYP1A2CYP2C9 | |
| SCHEMBL5669993 | 0.87 | GABBR2 (0.37) | GABBR2GABBR1TNFRSF1ACYP1A2CYP2C9 | |
| SCHEMBL5669298 | 0.87 | GABBR2 (0.33) | GABBR2GABBR1PTPN1HMGCRGPR55 | |
| SCHEMBL5669296 | 0.87 | GABBR2 (0.33) | GABBR2GABBR1PTPN1HMGCRGPR55 | |
| SCHEMBL5667499 | 0.85 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004026243-A2 | THERAPEUTIC USES OF LINEAR KETOPHOSPHONATES | ILEX ONCOLOGY RESEARCH, SARL (CH) | 2004-04-01 | — | — | WO | disclosed |