Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KCNT1 | Q5JUK3 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2173692 | 0.88 | HRH3 (0.41) | ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL2171837 | 0.87 | ALDH1A1 (0.52) | ALDH1A1KDM4ETSHRSCN9AMEN1 | |
| SCHEMBL2171604 | 0.87 | SCN9A (0.44) | ALDH1A1KDM4ESMN1; SMN2SCN9AMEN1 | |
| SCHEMBL2169794 | 0.87 | ALDH1A1 (0.45) | ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL2170422 | 0.83 | ALDH1A1 (0.39) | ALDH1A1KDM4ESMN1; SMN2SCN9AMEN1 | |
| SCHEMBL2172986 | 0.82 | ALDH1A1 (0.40) | ALDH1A1KDM4ESMN1; SMN2RECQLMEN1 | |
| SCHEMBL2170251 | 0.80 | ALDH1A1 (0.57) | ALDH1A1KDM4ESMN1; SMN2TSHRMEN1 | |
| SCHEMBL2350975 | 0.77 | TRPV1 (0.50) | ALDH1A1 | |
| SCHEMBL2170398 | 0.75 | ALDH1A1 (0.51) | ALDH1A1KDM4ETDP1SMN1; SMN2RECQL | |
| SCHEMBL2171613 | 0.74 | EPHX2 (0.51) | ALDH1A1KDM4ESMN1; SMN2RAB9A |
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 |