Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.69 |
| ▸ | TSHR | P16473 | 1/20 | 0.69 |
| ▸ | NT5E | P21589 | 1/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | PKM | P14618 | 4/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | MMP1 | P03956 | 1/20 | 0.52 |
| ▸ | MMP2 | P08253 | 1/20 | 0.52 |
| ▸ | MMP9 | P14780 | 1/20 | 0.52 |
| ▸ | MMP8 | P22894 | 1/20 | 0.52 |
| ▸ | MMP13 | P45452 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | F2 | P00734 | 3/20 | 0.51 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.51 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.51 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL4801606 | 0.93 | ALDH1A1 (0.60) | ALDH1A1TSHRNT5ETDP1MAPK1 | |
| SCHEMBL286762 | 0.90 | PKM (0.67) | ALDH1A1PKMCA1CA2MMP1 | |
| SCHEMBL10497952 | 0.88 | PKM (0.64) | ALDH1A1PKMCA1CA2MMP1 | |
| Hydrochloric Acid SCHEMBL1328452 | 0.88 | PKM (0.64) | ALDH1A1PKMCA1CA2MMP1 | |
| Fluoride SCHEMBL27786941 | 0.88 | PKM (0.64) | ALDH1A1PKMCA1CA2MMP1 | |
| Ammonia Solution, Strong SCHEMBL25386463 | 0.88 | PKM (0.64) | ALDH1A1PKMCA1CA2MMP1 | |
| Sulfuric Acid SCHEMBL9505045 | 0.88 | TDP1 (0.73) | ALDH1A1TSHRNT5ETDP1MAPK1 | |
| Sulfuric Acid SCHEMBL7630477 | 0.88 | TDP1 (0.73) | ALDH1A1TSHRNT5ETDP1MAPK1 | |
| SCHEMBL8627561 | 0.88 | PKM (0.64) | ALDH1A1PKMCA1CA2MMP1 | |
| Hydrogen Sulfide SCHEMBL27655402 | 0.88 | PKM (0.64) | ALDH1A1PKMCA1CA2MMP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4477381-A | PIGMENTS IN PRINTING INKS | BASF AKTIENGESELLSCHAFT (DE) | 1984-10-16 | — | — | US | disclosed |