Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.44 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | CCNC | P24863 | 1/20 | 0.34 |
| ▸ | CDK8 | P49336 | 1/20 | 0.34 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.34 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.34 |
| ▸ | SGK1 | O00141 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9564754 | 0.76 | PTGS1 (0.39) | PTGS1RXRARXRBGRIN2DGRIN3B | |
| SCHEMBL1227645 | 0.75 | CYP3A4 (0.58) | ALDH1A1TSHRCYP3A4GABRA1NFKB1 | |
| SCHEMBL12263263 | 0.73 | MKNK1 (0.47) | ALDH1A1TSHRKDM4ESGK1CAMKK2 | |
| SCHEMBL29678121 | 0.73 | RXRA (0.50) | TSHRPTGS1LMNAAKR1B1RXRA | |
| SCHEMBL9564742 | 0.72 | THRA (0.36) | KDM4EMAPTPTGS1CCNCCDK8 | |
| Bromide SCHEMBL9142238 | 0.72 | QDPR (0.44) | CYP3A4 | |
| SCHEMBL5156156 | 0.70 | PTGS1 (0.59) | TSHRPTGS1LMNAAKR1B1RXRA | |
| SCHEMBL6764983 | 0.70 | CYP3A4 (0.53) | ALDH1A1TSHRCYP3A4KDM4EMAPT | |
| SCHEMBL3915545 | 0.70 | IDO1 (0.49) | CYP3A4KDM4ELMNA | |
| SCHEMBL9141285 | 0.67 | KMT2A (0.55) | KDM4EMAPTGAA |
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-0544166-A2 | Cephalosporinderivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1993-06-02 | — | — | EP | disclosed |