Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.65 |
| ▸ | NPC1 | O15118 | 4/20 | 0.65 |
| ▸ | MAPT | P10636 | 3/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.64 |
| ▸ | TP53 | P04637 | 1/20 | 0.64 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | HBB | P68871 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL60627 | 0.89 | RAB9A (0.77) | RAB9ANPC1MAPTMAPK1KDM4E | |
| SCHEMBL10001067 | 0.89 | RAB9A (0.77) | RAB9ANPC1MAPTMAPK1KDM4E | |
| SCHEMBL6113062 | 0.86 | ALDH1A1 (0.79) | RAB9ANPC1MAPTMAPK1KDM4E | |
| SCHEMBL8693345 | 0.86 | RAB9A (0.68) | RAB9ANPC1MAPTMAPK1KDM4E | |
| SCHEMBL223335 | 0.85 | MAPT (0.75) | RAB9ANPC1MAPTMAPK1ALDH1A1 | |
| SCHEMBL13486843 | 0.83 | MAPT (0.69) | RAB9ANPC1MAPTMAPK1KDM4E | |
| SCHEMBL13486845 | 0.83 | MAPT (0.69) | RAB9ANPC1MAPTMAPK1KDM4E | |
| SCHEMBL11646587 | 0.83 | MAPT (0.72) | RAB9ANPC1MAPTMAPK1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4372451 | 0.83 | MAPT (0.72) | RAB9ANPC1MAPTMAPK1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4289450 | 0.83 | MAPT (0.72) | RAB9ANPC1MAPTMAPK1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011003193-A1 | COMPOUNDS AND METHODS FOR DETECTION AND QUANTIFICATION OF CARBOXYLIC ACIDS | THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) | 2011-01-13 | — | — | WO | disclosed |