Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5003336 | 0.92 | NPSR1 (0.47) | MAPTNPSR1TSHRKMT2AACSS2 | |
| SCHEMBL21501175 | 0.89 | NPC1 (0.52) | MAPTNPSR1PTGS2ALDH1A1NPC1 | |
| SCHEMBL20325604 | 0.88 | HTR2A (0.56) | MAPTHTR2ASLC6A4KCNH2TSHR | |
| SCHEMBL13199136 | 0.87 | TSHR (0.49) | NPSR1HTR2AMAPK1TSHRCYP3A4 | |
| SCHEMBL12004031 | 0.84 | CYP1A1 (0.48) | MAPTCYP1A2ALDH1A1NPC1RAB9A | |
| SCHEMBL20325777 | 0.84 | ALDH1A1 (0.56) | HTR2AMAPK1TSHRCYP3A4ABCB11 | |
| SCHEMBL13199166 | 0.82 | TSHR (0.46) | MAPTNPSR1MAPK1TSHRCRHBP | |
| SCHEMBL17583195 | 0.82 | NPSR1 (0.51) | MAPTNPSR1TSHRCYP1A2ALDH1A1 | |
| SCHEMBL31306426 | 0.80 | CA12 (0.55) | MAPTTSHRALDH1A1KMT2AACSS2 | |
| SCHEMBL2396473 | 0.80 | MAPT (0.50) | MAPTNPSR1MAPK1TSHRCYP1A2 |
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-2018118838-A1 | CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE | BIOMARIN PHARMACEUTICAL INC. (US) | 2018-06-28 | — | — | WO | disclosed |