Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.39 |
| ▸ | WEE1 | P30291 | 6/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 5/20 | 0.39 |
| ▸ | MIF | P14174 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | THRA | P10827 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9304643 | 0.81 | THRA (0.44) | CA12CA9PDK1ALDH1A1HSD17B10 | |
| SCHEMBL5443143 | 0.75 | ALDH1A1 (0.50) | CA12CA9PDK1ALDH1A1HSD17B10 | |
| SCHEMBL28184153 | 0.74 | HSD17B10 (0.70) | ALDH1A1HSD17B10KDM4EMEN1MAPT | |
| SCHEMBL5443146 | 0.69 | LMNA (0.51) | ALDH1A1HSD17B10KDM4EMEN1MAPT | |
| SCHEMBL9302844 | 0.68 | ACMSD (0.42) | CA12CA9HCAR2THRATHRB | |
| SCHEMBL2930892 | 0.68 | ALDH1A1 (0.68) | CA12CA9ALDH1A1KDM4EMEN1 | |
| SCHEMBL9242812 | 0.68 | GRIN2D (0.44) | HSD17B10 | |
| SCHEMBL31449287 | 0.65 | ALDH1A1 (0.48) | ALDH1A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL31066419 | 0.65 | ALDH1A1 (0.48) | ALDH1A1KDM4EMEN1MAPTKMT2A | |
| Bicarbonate SCHEMBL11009844 | 0.65 | CYP2A6 (0.59) | ALDH1A1MEN1MAPTHPGDKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5281720-A | Antiasthmatics, antiallergens, antiinflammatory agents and cytoprotective agents | MERCK FROSST CANADA, INC. | 1994-01-25 | — | — | US | disclosed |