Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 9/20 | 0.46 |
| ▸ | RAB9A | P51151 | 9/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL810200 | 0.89 | ALDH1A1 (0.61) | POLBALDH1A1MAPTKMT2ATSHR | |
| Hydrochloric Acid SCHEMBL28193464 | 0.87 | ALDH1A1 (0.59) | POLBALDH1A1MAPTKMT2ATSHR | |
| Fluoride SCHEMBL27455549 | 0.87 | ALDH1A1 (0.59) | POLBALDH1A1MAPTKMT2ATSHR | |
| Trifluoroacetic Acid SCHEMBL1786802 | 0.79 | CES1 (0.52) | ALDH1A1TSHRCES1NPC1RAB9A | |
| Benzoic Acid Hydrazide SCHEMBL5591378 | 0.79 | CES1 (0.52) | ALDH1A1MAPTCES1NPC1RAB9A | |
| Methyl Benzoate SCHEMBL27503814 | 0.79 | TSHR (0.76) | POLBALDH1A1MAPTKMT2ATSHR | |
| SCHEMBL28325726 | 0.79 | ALDH1A1 (0.55) | POLBALDH1A1MAPTKMT2ATSHR | |
| Trifluoroacetic Acid SCHEMBL3299441 | 0.79 | MLYCD (0.67) | ALDH1A1KMT2ACES1NPC1RAB9A | |
| SCHEMBL7427811 | 0.78 | CTDSP1 (0.60) | POLBALDH1A1MAPTKMT2ANPC1 | |
| SCHEMBL13527524 | 0.78 | CES2 (0.55) | ALDH1A1KMT2ACES1HDAC3HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101472912-A | Pyridine and pyrazine derivatives as MNK kinase inhibitors | BIOVITRUM AB PUBL (SE) | 2009-07-01 | — | — | CN | disclosed |