Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.59 |
| ▸ | CES1 | P23141 | 1/20 | 0.59 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.50 |
| ▸ | POLB | P06746 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | RECQL | P46063 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | APEX1 | P27695 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.48 |
| ▸ | FEN1 | P39748 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.45 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL23340458 | 0.85 | CES2 (0.62) | CES2CES1PTPN1ALDH1A1KMT2A | |
| SCHEMBL1384938 | 0.85 | SMN1; SMN2 (0.55) | CES2CES1PTPN1ALDH1A1KMT2A | |
| SCHEMBL5641377 | 0.82 | — | — | |
| SCHEMBL3862078 | 0.79 | CES2 (0.62) | CES2CES1PTPN1ALDH1A1KMT2A | |
| SCHEMBL18346242 | 0.79 | CES2 (0.62) | CES2CES1PTPN1ALDH1A1KMT2A | |
| SCHEMBL8241555 | 0.78 | — | — | |
| SCHEMBL24446 | 0.78 | — | — | |
| SCHEMBL30745655 | 0.78 | — | — | |
| SCHEMBL3811314 | 0.78 | CES2 (0.68) | CES2CES1PTPN1ALDH1A1KMT2A | |
| SCHEMBL183491 | 0.78 | — | — |
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-6342503-B1 | ANTIDEPRESSANTS, EATING DISORDERS | DUPONT PHARMACEUTICALS COMPANY | 2002-01-29 | — | — | US | disclosed |