Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ALB | P02768 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 5/20 | 0.38 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8970815 | 0.70 | CA12 (0.47) | ALDH1A1CYP2C9TSHRLMNAALB | |
| SCHEMBL8971175 | 0.69 | MCHR1 (0.47) | ALDH1A1CYP2C9TSHRLMNAALB | |
| SCHEMBL19661520 | 0.69 | CA12 (0.50) | ALDH1A1CYP2C9TSHRLMNAALB | |
| SCHEMBL4727639 | 0.68 | CA2 (0.45) | ALDH1A1CYP2C9TSHRLMNAALB | |
| SCHEMBL8971425 | 0.68 | MCHR1 (0.50) | ALDH1A1CYP2C9TSHRLMNAALB | |
| SCHEMBL8971220 | 0.68 | MCHR1 (0.50) | ALDH1A1CYP2C9TSHRLMNAALB | |
| SCHEMBL8970647 | 0.68 | MCHR1 (0.50) | ALDH1A1CYP2C9TSHRLMNAALB | |
| SCHEMBL7614659 | 0.68 | MCHR1 (0.50) | ALDH1A1CYP2C9TSHRLMNAALB | |
| SCHEMBL21790170 | 0.68 | MMP1 (0.51) | ALDH1A1CYP2C9TSHRLMNAALB | |
| SCHEMBL8971913 | 0.68 | MCHR1 (0.50) | ALDH1A1CYP2C9TSHRLMNAALB |
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 |