Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 4/20 | 0.48 |
| ▸ | CA2 | P00918 | 4/20 | 0.48 |
| ▸ | CA7 | P43166 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 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 | |
|---|---|---|---|---|
| SCHEMBL28567266 | 0.80 | TSHR (0.42) | ALDH1A1CA1CA2CA9MAPT | |
| Water SCHEMBL11407563 | 0.80 | KIF11 (0.33) | — | |
| SCHEMBL8922723 | 0.80 | TSHR (0.42) | ALDH1A1CYP2A6CA1CA2CA9 | |
| SCHEMBL3723944 | 0.80 | CES1 (0.42) | ALDH1A1CYP2A6MAPTLMNAMAPK1 | |
| Water SCHEMBL11426874 | 0.80 | KIF11 (0.33) | — | |
| SCHEMBL11111992 | 0.79 | MAOA (0.42) | ALDH1A1CA2CA9CA14MAPT | |
| SCHEMBL3725553 | 0.78 | KCNN4 (0.38) | MAPTACHEMAPK1KDM4E | |
| SCHEMBL934888 | 0.78 | ESR1 (0.44) | ALDH1A1CA1CA2CA7CA9 | |
| SCHEMBL3724084 | 0.78 | MEN1 (0.41) | CYP2A6MAPTLMNAMAPK1HSD17B10 | |
| SCHEMBL934860 | 0.76 | SMN1; SMN2 (0.51) | ALDH1A1CYP2A6CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5610016-A | REACTING A GLYOXAL DERIVATIVE, CHEMILUMINESCENCE | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 1997-03-11 | — | — | US | disclosed |
| EP-0675360-A2 | Method for measuring adenyl group containing substances using heteropoly acid | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 1995-10-04 | — | — | EP | disclosed |