Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CA4 | P22748 | 2/20 | 0.55 |
| ▸ | CA7 | P43166 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | MYC | P01106 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17208797 | 0.84 | CA1 (0.41) | CA12CA1CA2CA4CA7 | |
| SCHEMBL6224766 | 0.82 | ALDH1A1 (0.59) | CA12CA1CA2CA4CA7 | |
| SCHEMBL8325236 | 0.81 | ALDH1A1 (0.57) | CA12CA1CA2CA4CA7 | |
| SCHEMBL7286463 | 0.80 | TSHR (0.53) | CA12CA1CA2CA4CA7 | |
| SCHEMBL19847390 | 0.76 | ALDH1A1 (0.52) | ALDH1A1KDM4EHPGDHSD17B10MYC | |
| SCHEMBL7364595 | 0.76 | ALDH1A1 (0.52) | CA12CA1CA2CA4CA7 | |
| SCHEMBL7287426 | 0.76 | CA12 (0.49) | CA12CA1CA2CA4CA7 | |
| SCHEMBL4440972 | 0.75 | POLB (0.53) | CA12CA1CA2CA4CA7 | |
| SCHEMBL29984131 | 0.73 | ALDH1A1 (0.48) | CA12CA1CA2CA4CA7 | |
| Hydroxytoluic Acid SCHEMBL30538819 | 0.72 | ALDH1A1 (0.96) | CA12CA1CA2CA4CA7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4440941-A | Aroyl-aminoacids, amides and esters thereof | USV PHARMACEUTICAL CORPORATION (US) | 1984-04-03 | — | — | US | disclosed |
| EP-0054936-A1 | Aroyl amino acids | USV PHARMACEUTICAL CORPORATION (US) | 1982-06-30 | — | — | EP | disclosed |