Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | LTA4H | P09960 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28728579 | 0.91 | CA1 (0.55) | CA4LTA4HCA12CA1CA2 | |
| SCHEMBL7900827 | 0.82 | ESR1 (0.46) | CA4CA2SMN1; SMN2MAPTHTT | |
| SCHEMBL7162911 | 0.81 | ESR1 (0.57) | CA4LTA4HCA12CA1CA2 | |
| SCHEMBL8933620 | 0.81 | ESR1 (0.57) | CA4LTA4HCA12CA1CA2 | |
| SCHEMBL14277866 | 0.78 | CA1 (0.55) | CA4LTA4HCA12CA1CA2 | |
| SCHEMBL3805335 | 0.77 | CA12 (0.44) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL8837417 | 0.77 | CA1 (0.61) | CA4LTA4HCA12CA1CA2 | |
| SCHEMBL5619254 | 0.77 | CA4 (0.54) | CA4LTA4HCA12CA1CA2 | |
| SCHEMBL10253680 | 0.77 | CA4 (0.54) | CA4LTA4HCYP1A2CYP2C19CA12 | |
| SCHEMBL5619896 | 0.77 | CA4 (0.54) | CA4LTA4HCA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996024601-A1 | COMPLEXES, PROCESSES FOR THEIR PREPARATION AND THEIR USE | UNIVERSITY COLLEGE DUBLIN (IE) | 1996-08-15 | — | — | WO | claimed |
| WO-1996024601-A1 | COMPLEXES, PROCESSES FOR THEIR PREPARATION AND THEIR USE | UNIVERSITY COLLEGE DUBLIN (IE) | 1996-08-15 | — | — | WO | disclosed |