Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 5/20 | 0.39 |
| ▸ | WNT3A | P56704 | 4/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9577885 | 0.79 | CES2 (0.65) | CES2CES1PTPN1NPC1RAB9A | |
| SCHEMBL108054 | 0.76 | CA12 (0.59) | CTNNB1NPC1RAB9AALDH1A1KMT2A | |
| SCHEMBL30497947 | 0.76 | CA12 (0.59) | CTNNB1NPC1RAB9AALDH1A1KMT2A | |
| SCHEMBL6398443 | 0.74 | CA12 (0.57) | CTNNB1NPC1RAB9AALDH1A1KMT2A | |
| SCHEMBL27702615 | 0.71 | CA12 (0.59) | CES1CTNNB1PTPN1NPC1RAB9A | |
| SCHEMBL79656 | 0.71 | CA12 (0.57) | CTNNB1ALDH1A1KMT2AMEN1LMNA | |
| Acetophenone SCHEMBL27604672 | 0.69 | CA12 (0.52) | CTNNB1NPC1RAB9AALDH1A1KMT2A | |
| SCHEMBL924897 | 0.68 | CYP4F2 (0.49) | NPC1RAB9ALMNAMAPTSMN1; SMN2 | |
| SCHEMBL14548595 | 0.68 | CTBP2 (0.49) | CES2CES1NQO2CTNNB1WNT3A | |
| SCHEMBL574955 | 0.67 | — | — |
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-4145354-A | Process for preparing 5-acyl-2-(furfurylthio)dihydro-2,5-dialkyl-3- 2H!furanones | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-03-20 | — | — | US | disclosed |