Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | SELP | P16109 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | CASP2 | P42575 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20613639 | 0.81 | NAAA (0.47) | SELPNAAAFAAHALDH1A1CASP2 | |
| SCHEMBL20613633 | 0.78 | FAAH (0.56) | SELPEPHX2NAAAMAPTFAAH | |
| SCHEMBL20613738 | 0.78 | FAAH (0.56) | SELPEPHX2NAAAMAPTFAAH | |
| SCHEMBL20613626 | 0.78 | FAAH (0.56) | SELPEPHX2NAAAMAPTFAAH | |
| SCHEMBL17742157 | 0.77 | PTGS1 (0.56) | CYP1A2CYP2D6CYP3A4L3MBTL1PTGS1 | |
| SCHEMBL20613667 | 0.77 | CASP2 (0.48) | NAAAFAAHALDH1A1CASP2 | |
| SCHEMBL20613642 | 0.77 | ALDH1A1 (0.34) | L3MBTL1SELPTSHRNAAAFAAH | |
| SCHEMBL13193058 | 0.77 | SELP (0.50) | CYP1A2CYP2D6CYP3A4SELPNAAA | |
| SCHEMBL20613713 | 0.76 | TSHR (0.40) | TSHRMAPTFAAHALDH1A1CNR1 | |
| SCHEMBL10124145 | 0.75 | L3MBTL1 (0.49) | CYP1A2CYP2D6CYP3A4L3MBTL1SELP |
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-3215496-B1 | PANTOTHENAMIDE ANALOGUES | RADBOUD UNIV MEDISCH CENTRUM (NL) | 2019-01-02 | — | — | EP | disclosed |