Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | PABPC1 | P11940 | 2/20 | 0.40 |
| ▸ | GRM5 | P41594 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.40 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL14234945 | 0.77 | NPSR1 (0.43) | ALDH1A1GAAGRM5NPSR1KCNQ3 | |
| SCHEMBL4948493 | 0.74 | KDM4E (0.60) | ALDH1A1MAPTMEN1KMT2APABPC1 | |
| SCHEMBL3634657 | 0.73 | MAPK1 (0.56) | ALDH1A1GAAMEN1KMT2AGRM5 | |
| Potassium SCHEMBL29692209 | 0.73 | KDM4E (0.58) | ALDH1A1MAPTMEN1KMT2APABPC1 | |
| SCHEMBL12985792 | 0.73 | ALDH1A1 (0.39) | ALDH1A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL23320591 | 0.73 | KDM4E (0.58) | ALDH1A1MAPTMEN1KMT2APABPC1 | |
| Hydrochloric Acid SCHEMBL23320590 | 0.73 | ALDH1A1 (0.58) | ALDH1A1MAPTMEN1KMT2APABPC1 | |
| SCHEMBL27911279 | 0.73 | KDM4E (0.40) | ALDH1A1MAPTMEN1KMT2APABPC1 | |
| SCHEMBL27787981 | 0.73 | KMT2A (0.40) | ALDH1A1MAPTMEN1KMT2APABPC1 | |
| SCHEMBL3635773 | 0.72 | P4HTM (0.55) | ALDH1A1GAAKDM4ERAB9ANPC1 |
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-101679299-A | Nicotinic acid derivatives as modulators of metabotropic glutamate receptor-5 | NOVARTIS AG | 2010-03-24 | — | — | CN | disclosed |