Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.40 |
| ▸ | CASP6 | P55212 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.40 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.40 |
| ▸ | PKLR | P30613 | 3/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.35 |
| ▸ | CYTH2 | Q99418 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL457069 | 0.90 | PTGS1 (0.40) | POLBGAAGFERPTGS1APOBEC3A | |
| Sulfuric Acid SCHEMBL457707 | 0.88 | PTGS1 (0.43) | POLBGAAGFERPTGS1APOBEC3A | |
| SCHEMBL458456 | 0.82 | CA12 (0.39) | POLBGAAGFERKMT2ACA12 | |
| SCHEMBL31307331 | 0.82 | CA12 (0.39) | POLBGAAGFERKMT2ACA12 | |
| SCHEMBL457070 | 0.81 | PTGS1 (0.49) | POLBGAAGFERPTGS1APOBEC3A | |
| Hydrochloric Acid SCHEMBL454032 | 0.81 | CA12 (0.38) | POLBGAAGFERKMT2ACA12 | |
| Bromide SCHEMBL454874 | 0.81 | CA12 (0.38) | POLBGAAGFERKMT2ACA12 | |
| Acetic Acid SCHEMBL457559 | 0.78 | CA12 (0.39) | POLBGAAGFERPTGS1KMT2A | |
| Water SCHEMBL2863467 | 0.69 | HTR6 (0.52) | POLBGAAGFERAPOBEC3ACASP6 | |
| Water SCHEMBL8617713 | 0.69 | HTR6 (0.52) | POLBAPOBEC3ACASP6KMT2ACTDSP1 |
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-2012031796-A2 | AGENTS FOR COLOURING KERATINIC FIBRES WITH CATIONIC DERIVATIVES OF 1-(2,5-DIHYDROXYPHENYL)PYRIDINIUM | HENKEL AG & CO. KGAA (DE) | 2012-03-15 | — | — | WO | disclosed |