Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.44 |
| ▸ | FEN1 | P39748 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 2/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | TLR4 | O00206 | 1/20 | 0.41 |
| ▸ | TLR2 | O60603 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8864851 | 1.00 | CYP3A4 (0.47) | CYP3A4CYP2C9NPC1RAB9AALDH1A1 | |
| SCHEMBL781849 | 0.84 | CYP3A4 (0.63) | CYP3A4CYP2C9NPC1RAB9AALDH1A1 | |
| SCHEMBL8041928 | 0.84 | CYP3A4 (0.63) | CYP3A4CYP2C9NPC1RAB9AALDH1A1 | |
| SCHEMBL4327979 | 0.84 | CYP3A4 (0.63) | CYP3A4CYP2C9NPC1RAB9AALDH1A1 | |
| SCHEMBL8865604 | 0.82 | GSK3B (0.50) | CYP3A4NPC1RAB9AALDH1A1LMNA | |
| SCHEMBL8865614 | 0.82 | GSK3B (0.50) | CYP3A4NPC1RAB9AALDH1A1LMNA | |
| SCHEMBL8865069 | 0.81 | TP53 (0.59) | CYP3A4CYP2C9MEN1KMT2ALMNA | |
| SCHEMBL8865055 | 0.81 | TP53 (0.59) | CYP3A4CYP2C9MEN1KMT2ALMNA | |
| SCHEMBL8865503 | 0.79 | NPC1 (0.48) | NPC1RAB9AALDH1A1KMT2APARP10 | |
| SCHEMBL8865510 | 0.79 | NPC1 (0.48) | NPC1RAB9AALDH1A1KMT2APARP10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5663342-A | GLUCOSIDASE INHIBITORS, ANTIVIRAL, ANTI-HIV | G. D. SEARLE & CO. (US) | 1997-09-02 | — | — | US | disclosed |
| US-5646313-A | PREPARING ENKEPHALINASE INHIBITORS | SOCIETE CIVILE BIOPROJET (FR) | 1997-07-08 | — | — | US | disclosed |
| US-5612371-A | ENZYME INHIBITORS | SOCIETE CIVILE BIOPROJECT (FR) | 1997-03-18 | — | — | US | disclosed |