Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KAT2B | Q92831 | 5/20 | 0.35 |
| ▸ | G6PD | P11413 | 2/20 | 0.34 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.33 |
| ▸ | FAAH | O00519 | 2/20 | 0.33 |
| ▸ | MGLL | Q99685 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | EP300 | Q09472 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9263852 | 0.79 | PHOSPHO1 (0.47) | ALDH1A1KAT2BG6PDPKMHTT | |
| SCHEMBL9256001 | 0.78 | KDM4E (0.40) | ALDH1A1KAT2BPKMKDM4ENPC1 | |
| SCHEMBL9262493 | 0.75 | MAPT (0.46) | ALDH1A1HSP90AA1PKMHTTKDM4E | |
| SCHEMBL9256085 | 0.70 | PMM2 (0.45) | ALDH1A1KAT2BPKMKDM4EMEN1 | |
| SCHEMBL9263510 | 0.69 | SMN1; SMN2 (0.60) | ALDH1A1KAT2BHSP90AA1HTTKDM4E | |
| SCHEMBL223423 | 0.69 | ALDH1A1 (0.73) | ALDH1A1FAAHMGLLHTTKDM4E | |
| SCHEMBL14418354 | 0.69 | ALDH1A1 (0.73) | ALDH1A1FAAHMGLLHTTKDM4E | |
| SCHEMBL23969869 | 0.68 | ALDH1A1 (0.64) | ALDH1A1MGLLHTTKDM4ENPC1 | |
| SCHEMBL8271146 | 0.66 | ALDH1A1 (0.50) | ALDH1A1HSP90AA1ATM | |
| SCHEMBL9260520 | 0.66 | NR1H3 (0.33) | KAT2BG6PDTLR9 |
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-5411977-A | Substituted 2,5-diaryl-4-isothiazolin-3-ones as antiinflammatory and antithrombotic agents | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-05-02 | — | — | US | disclosed |