Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | TPMT | P51580 | 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 | |
|---|---|---|---|---|
| SCHEMBL7523176 | 0.76 | PTPN1 (0.46) | PTPN1ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL9720465 | 0.69 | TSHR (0.36) | ALDH1A1TSHRHSD17B10TDP1 | |
| SCHEMBL28669928 | 0.69 | CA2 (0.48) | PTPN1ALDH1A1CA2CA4HSD17B10 | |
| SCHEMBL27833662 | 0.67 | PTPN1 (1.00) | PTPN1ALDH1A1TSHRCA2CA4 | |
| SCHEMBL6356659 | 0.66 | POLB (0.36) | PTPN1ALDH1A1HSD17B10SMN1; SMN2TDP1 | |
| SCHEMBL9333813 | 0.66 | PTPN1 (0.64) | PTPN1ALDH1A1CA2CA4HSD17B10 | |
| SCHEMBL28506373 | 0.65 | PTPN1 (0.39) | PTPN1ALDH1A1CA2CA4HSD17B10 | |
| SCHEMBL6888914 | 0.64 | TSHR (0.45) | ALDH1A1TSHRCA2HSD17B10TDP1 | |
| Mellitic Acid SCHEMBL27648413 | 0.64 | ALDH1A1 (0.45) | ALDH1A1TSHRCA2HSD17B10TDP1 | |
| SCHEMBL25383713 | 0.64 | PTPN1 (0.50) | PTPN1CA2CA4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1186305-A1 | New brominated compounds as contrast media for X-ray mammography | Schering Aktiengesellschaft (DE) | 2002-03-13 | — | — | EP | disclosed |