Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | ESR1 | P03372 | 7/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.42 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.42 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.42 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.42 |
| ▸ | COMT | P21964 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29396619 | 0.94 | ESR1 (0.64) | TDP1ALDH1A1ESR1HTTKMT2A | |
| SCHEMBL9761593 | 0.84 | NPC1 (0.57) | ALDH1A1HTTKMT2ACA1CA2 | |
| SCHEMBL18020904 | 0.82 | ESR1 (0.62) | TDP1ALDH1A1ESR1PKMTSHR | |
| SCHEMBL11358519 | 0.82 | ESR1 (0.62) | TDP1ALDH1A1ESR1PKMTSHR | |
| SCHEMBL9676771 | 0.78 | ESR1 (0.68) | ALDH1A1ESR1PKMNPC1 | |
| Trinitrophenol SCHEMBL339139 | 0.78 | LMNA (0.64) | TDP1ALDH1A1ESR1KMT2APKM | |
| Trinitrophenol SCHEMBL339138 | 0.78 | LMNA (0.64) | TDP1ALDH1A1ESR1KMT2APKM | |
| SCHEMBL5947763 | 0.78 | ESR1 (0.57) | TDP1ALDH1A1ESR1KMT2APKM | |
| SCHEMBL11829127 | 0.77 | ESR1 (0.56) | TDP1ALDH1A1ESR1PKMTSHR | |
| SCHEMBL9169504 | 0.77 | ESR1 (0.71) | ALDH1A1ESR1TSHRNPC1CACNA1F |
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-4990699-A | Perfluoroalkylation process | ETHYL CORPORATION (US) | 1991-02-05 | — | — | US | disclosed |