Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | GBA1 | P04062 | 1/20 | 0.58 |
| ▸ | CA2 | P00918 | 6/20 | 0.51 |
| ▸ | CA9 | Q16790 | 5/20 | 0.51 |
| ▸ | CA1 | P00915 | 4/20 | 0.51 |
| ▸ | CA4 | P22748 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 3/20 | 0.50 |
| ▸ | MMP2 | P08253 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | MMP8 | P22894 | 1/20 | 0.47 |
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL12406332 | 0.89 | CA2 (0.58) | ALDH1A1TSHRGBA1CA2CA9 | |
| SCHEMBL10332270 | 0.86 | ALDH1A1 (0.67) | ALDH1A1TSHRGBA1CA2CA9 | |
| SCHEMBL1609619 | 0.84 | CA2 (0.55) | ALDH1A1TSHRCA2CA9CA1 | |
| SCHEMBL1609621 | 0.84 | CA2 (0.55) | ALDH1A1TSHRCA2CA9CA1 | |
| SCHEMBL8201579 | 0.83 | CA2 (0.69) | ALDH1A1TSHRGBA1CA2CA9 | |
| SCHEMBL29831100 | 0.83 | CA2 (0.54) | ALDH1A1TSHRGBA1CA2CA9 | |
| SCHEMBL7568069 | 0.83 | CA2 (0.54) | ALDH1A1TSHRGBA1CA2CA9 | |
| SCHEMBL10332250 | 0.81 | ALDH1A1 (0.57) | ALDH1A1TSHRGBA1CA2CA9 | |
| SCHEMBL12169313 | 0.81 | CA2 (0.65) | ALDH1A1TSHRCA2CA9CA1 | |
| SCHEMBL19011400 | 0.81 | GBA1 (0.61) | ALDH1A1TSHRGBA1CA2CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0287465-B1 | CYCLIC LIGANDS CONTAINING NITROGEN, METAL COMPLEXES FORMED BY THESE LIGANDS, DIAGNOSTIC COMPOSITIONS CONTAINING THEM AND PROCESS FOR THEIR PREPARATION | GUERBET S.A. (FR) | 1993-01-27 | — | — | EP | disclosed |
| US-5049667-A | Nitrogen-containing cyclic ligands | GUERBET S.A. (FR) | 1991-09-17 | — | — | US | disclosed |
| EP-0287465-A1 | Cyclic ligands containing nitrogen, metal complexes formed by these ligands, diagnostic compositions containing them and process for their preparation | GUERBET S.A. (FR) | 1988-10-19 | — | — | EP | disclosed |