Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 5/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | CBS | P35520 | 1/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | MPC2 | O95563 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29092314 | 0.86 | PTPN1 (0.52) | PTPN1CA2ALDH1A1NPSR1MEN1 | |
| SCHEMBL8165977 | 0.83 | CA2 (0.50) | PTPN1CA2ALDH1A1NPSR1MEN1 | |
| SCHEMBL8173780 | 0.82 | CA2 (0.59) | PTPN1CA2ALDH1A1NPSR1MEN1 | |
| SCHEMBL29092535 | 0.81 | PTPN1 (0.51) | PTPN1CA2TSHRALDH1A1NPSR1 | |
| SCHEMBL8310042 | 0.81 | CA2 (0.56) | PTPN1CA2ALDH1A1NPSR1CYP3A4 | |
| SCHEMBL8309358 | 0.80 | CA2 (0.52) | PTPN1CA2ALDH1A1NPSR1CYP3A4 | |
| SCHEMBL8182679 | 0.79 | PTPN1 (0.79) | PTPN1CA2TSHRALDH1A1NPSR1 | |
| SCHEMBL13866957 | 0.79 | CA2 (0.48) | PTPN1CA2ALDH1A1MPC2CYP2C8 | |
| SCHEMBL11156676 | 0.78 | PTPN1 (0.55) | PTPN1CA2TSHRALDH1A1NPSR1 | |
| Hydrochloric Acid SCHEMBL3867416 | 0.78 | CA2 (0.48) | PTPN1CA2ALDH1A1MPC2CYP2C8 |
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-2000018748-A1 | RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS | ROCHE DIAGNOSTICS GMBH (DE) | 2000-04-06 | — | — | WO | disclosed |