Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.45 |
| ▸ | MMP3 | P08254 | 3/20 | 0.45 |
| ▸ | MMP2 | P08253 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | FPR2 | P25090 | 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 | |
|---|---|---|---|---|
| SCHEMBL7587021 | 1.00 | CA12 (0.46) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL7542675 | 0.91 | ALDH1A1 (0.44) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL7542673 | 0.91 | ALDH1A1 (0.44) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL7542685 | 0.91 | ALDH1A1 (0.44) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL7539223 | 0.86 | HDAC1 (0.47) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL7539219 | 0.86 | HDAC1 (0.47) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL7539220 | 0.86 | HDAC1 (0.47) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL7541870 | 0.86 | FOLH1 (0.54) | MMP9MMP8MMP3MMP2FPR2 | |
| SCHEMBL7538785 | 0.86 | FOLH1 (0.54) | MMP9MMP8MMP3MMP2FPR2 | |
| SCHEMBL27564138 | 0.82 | CRHBP (0.47) | CA12CA1CA2CA9ALDH1A1 |
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-1209147-A1 | CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | TORAY INDUSTRIES, INC. (JP) | 2002-05-29 | — | — | EP | disclosed |