Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALB | P02768 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | S100A4 | P26447 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL7878733 | 0.77 | TLR9 (0.52) | TLR9ALDH1A1CYP2C9TDP1LMNA | |
| SCHEMBL8655900 | 0.76 | TLR9 (0.50) | TLR9ALDH1A1CYP2C9TDP1LMNA | |
| SCHEMBL4391248 | 0.74 | TLR9 (0.57) | TLR9ALDH1A1CYP2C9TDP1CTSK | |
| SCHEMBL4398844 | 0.74 | TLR9 (0.61) | TLR9ALDH1A1CYP2C9TDP1CTSK | |
| SCHEMBL7426233 | 0.72 | CTSK (0.44) | TLR9ALDH1A1CYP2C9TDP1LMNA | |
| Hexane SCHEMBL11658743 | 0.69 | MCHR1 (0.53) | TLR9ALDH1A1CYP2C9TDP1LMNA | |
| SCHEMBL7768690 | 0.68 | ALDH1A1 (0.40) | ALDH1A1CYP2C9TDP1LMNAALB | |
| SCHEMBL8984299 | 0.67 | CA12 (0.41) | ALDH1A1CYP2C9TDP1LMNAALB | |
| Pentane SCHEMBL28482247 | 0.65 | ALDH1A1 (0.50) | ALDH1A1CYP2C9TDP1LMNAALB | |
| Hexane SCHEMBL7122950 | 0.65 | MCHR1 (0.53) | ALDH1A1CYP2C9TDP1LMNAALB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0806411-B1 | Anti-viral compounds | LILLY CO ELI (US) | 2001-07-11 | — | — | EP | disclosed |