Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.34 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.34 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6371475 | 0.90 | TYMS (0.48) | TYMSLMNACYP3A4NFKB1BLM | |
| SCHEMBL6532764 | 0.78 | S1PR1 (0.38) | TSHRCYP2C19LPAR3LPAR2 | |
| SCHEMBL8967122 | 0.72 | TSHR (0.38) | TSHRCYP2C19 | |
| SCHEMBL11883970 | 0.72 | TYMS (0.34) | TYMSTSHRCYP2C19LMNACYP3A4 | |
| SCHEMBL9794973 | 0.71 | TSHR (0.46) | TYMSTSHRCYP2C19LMNACYP3A4 | |
| SCHEMBL5059577 | 0.71 | TSHR (0.52) | TYMSTSHRCYP2C19LMNACYP3A4 | |
| SCHEMBL8161690 | 0.70 | TSHR (0.44) | TSHRCYP2C19 | |
| SCHEMBL28310167 | 0.68 | S1PR1 (0.39) | LPAR3LPAR2 | |
| SCHEMBL297125 | 0.68 | TYMS (0.38) | TYMSLMNACYP3A4NFKB1BLM | |
| SCHEMBL5245884 | 0.68 | TYMS (0.42) | TYMSLMNACYP3A4NFKB1BLM |
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 |
|---|---|---|---|---|---|---|---|
| US-5589106-A | HYDROXYCARBOXYLIC ACIDS, SILICATE SALTS AND POLYMERIC DISPERSANTS | NALCO CHEMICAL COMPANY (US) | 1996-12-31 | — | — | US | claimed |
| US-5589106-A | HYDROXYCARBOXYLIC ACIDS, SILICATE SALTS AND POLYMERIC DISPERSANTS | NALCO CHEMICAL COMPANY (US) | 1996-12-31 | — | — | US | disclosed |