Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | MMP1 | P03956 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
| ▸ | MMP3 | P08254 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CHKA | P35790 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9537676 | 1.00 | ALDH1A1 (0.58) | ALDH1A1HPGDMMP1MMP2MMP3 | |
| SCHEMBL1151783 | 1.00 | ALDH1A1 (0.58) | ALDH1A1HPGDMMP1MMP2MMP3 | |
| SCHEMBL6704420 | 1.00 | ALDH1A1 (0.58) | ALDH1A1HPGDMMP1MMP2MMP3 | |
| SCHEMBL64790 | 1.00 | — | — | |
| SCHEMBL30523266 | 0.97 | ALDH1A1 (0.55) | ALDH1A1HPGDMMP1MMP2MMP3 | |
| Hydrochloric Acid SCHEMBL1477069 | 0.97 | ALDH1A1 (0.55) | ALDH1A1HPGDMMP1MMP2MMP3 | |
| SCHEMBL28304091 | 0.97 | ALDH1A1 (0.55) | ALDH1A1HPGDMMP1MMP2MMP3 | |
| Water SCHEMBL9407657 | 0.97 | ALDH1A1 (0.55) | ALDH1A1HPGDMMP1MMP2MMP3 | |
| SCHEMBL27386931 | 0.97 | ALDH1A1 (0.55) | ALDH1A1HPGDMMP1MMP2MMP3 | |
| Hydrochloric Acid SCHEMBL28211778 | 0.97 | ALDH1A1 (0.55) | ALDH1A1HPGDMMP1MMP2MMP3 |
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-3212733-B1 | NEW CHROMOPHORIC STRUCTURES FOR MACROCYCLIC LANTHANIDE CHELATES | RADIOMETER TURKU OY (FI) | 2019-08-28 | — | — | EP | disclosed |