Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.57 |
| ▸ | CA4 | P22748 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | LTA4H | P09960 | 2/20 | 0.52 |
| ▸ | ACP3 | P15309 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7162911 | 1.00 | ESR1 (0.57) | ESR1CA4PKMHTTLTA4H | |
| SCHEMBL10588496 | 0.93 | CA1 (0.55) | ESR1PKMHTTNPC1RAB9A | |
| SCHEMBL5619896 | 0.87 | CA4 (0.54) | CA4PKMHTTLTA4HACP3 | |
| SCHEMBL5619254 | 0.87 | CA4 (0.54) | CA4PKMHTTLTA4HACP3 | |
| Nitrobenzene SCHEMBL28322730 | 0.85 | ALDH1A1 (0.57) | ESR1NPC1RAB9AMAPTMAPK1 | |
| SCHEMBL2470813 | 0.83 | ACP3 (0.58) | CA4PKMHTTLTA4HACP3 | |
| SCHEMBL30529847 | 0.83 | PKM (0.50) | CA4PKMHTTLTA4HACP3 | |
| SCHEMBL31472733 | 0.83 | PKM (0.54) | CA4PKMHTTLTA4HACP3 | |
| SCHEMBL14148854 | 0.82 | LTA4H (0.63) | CA4PKMHTTLTA4HACP3 | |
| SCHEMBL13397921 | 0.82 | HTT (0.57) | CA4PKMHTTLTA4HACP3 |
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 |