Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 10/20 | 0.38 |
| ▸ | CA2 | P00918 | 10/20 | 0.38 |
| ▸ | CA12 | O43570 | 5/20 | 0.38 |
| ▸ | CA9 | Q16790 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CCNC | P24863 | 1/20 | 0.35 |
| ▸ | CDK8 | P49336 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ALB | P02768 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7977037 | 0.87 | ALDH1A1 (0.34) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL7979887 | 0.86 | ALDH1A1 (0.40) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL7977035 | 0.73 | ALDH1A1 (0.38) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL2822013 | 0.70 | CA1 (0.60) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL23835564 | 0.69 | CA1 (0.61) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL16930099 | 0.69 | CA1 (0.61) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL29040417 | 0.69 | CA1 (0.61) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL29040473 | 0.69 | CA1 (0.61) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL10191081 | 0.69 | CA1 (0.61) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL29040410 | 0.69 | CA1 (0.61) | CA1CA2CA12CA9ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001005748-A1 | OLIGOMERIC AMINO ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | MONSANTO COMPANY (US) | 2001-01-25 | — | — | WO | disclosed |