Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.57 |
| ▸ | TSHR | P16473 | 3/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 5/20 | 0.48 |
| ▸ | DRD2 | P14416 | 4/20 | 0.48 |
| ▸ | DRD3 | P35462 | 2/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2350975 | 0.85 | TRPV1 (0.50) | ALDH1A1GAA | |
| SCHEMBL2171837 | 0.80 | ALDH1A1 (0.52) | ALDH1A1TSHRKDM4EMEN1KMT2A | |
| SCHEMBL2172986 | 0.80 | ALDH1A1 (0.40) | ALDH1A1MAPTGAAKDM4EMEN1 | |
| SCHEMBL2171604 | 0.80 | SCN9A (0.44) | ALDH1A1MAPTGAAKDM4EMEN1 | |
| SCHEMBL2169794 | 0.80 | ALDH1A1 (0.45) | ALDH1A1MAPTGAAKDM4EMEN1 | |
| SCHEMBL2170387 | 0.80 | ALDH1A1 (0.47) | ALDH1A1TSHRKDM4EMEN1KMT2A | |
| SCHEMBL2357195 | 0.78 | SCN9A (0.45) | MAPTTSHRMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL2170255 | 0.77 | ALDH1A1 (0.57) | ALDH1A1MAPTTSHRGAAKDM4E | |
| SCHEMBL2170422 | 0.77 | ALDH1A1 (0.39) | ALDH1A1GAAKDM4EMEN1KMT2A | |
| SCHEMBL2173692 | 0.76 | HRH3 (0.41) | ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2346821-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | Exelixis, Inc. (US) | 2011-07-27 | — | — | EP | disclosed |