Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL10748579 | 0.79 | CYP3A4 (0.39) | CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL8339603 | 0.69 | TSHR (0.39) | CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL7906403 | 0.65 | KEAP1 (0.44) | CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL8778861 | 0.65 | CYP3A4 (0.32) | CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL9777702 | 0.62 | CYP3A4 (0.33) | CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL2424857 | 0.59 | TDP1 (0.46) | CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL4989070 | 0.59 | CYP3A4 (0.43) | CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL11553083 | 0.58 | CYP3A4 (0.42) | CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL11548109 | 0.58 | TSHR (0.55) | CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL2421632 | 0.58 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0140927-A1 | PRODUCTION OF POLYCHLORINATED PYRIDINE MIXTURES BY LIQUID PHASE CHLORINATION OF 3,5-LUTIDINE OR 3,5-LUTIDINE HYDROCHLORIDE | KALAMA CHEMICAL, INC. (US) | 1985-05-15 | — | — | EP | disclosed |
| US-4507486-A | Production of polychlorinated pyridine mixtures by liquid phase chlorination of 3,5-lutidine or 3,5-lutidine hydrochloride | KALAMA CHEMICAL, INC. (US) | 1985-03-26 | — | — | US | disclosed |
| WO-1984004093-A1 | PRODUCTION OF POLYCHLORINATED PYRIDINE MIXTURES BY LIQUID PHASE CHLORINATION OF 3,5-LUTIDINE OR 3,5-LUTIDINE HYDROCHLORIDE | KALAMA CHEMICAL INC (US) | 1984-10-25 | — | — | WO | disclosed |