Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.71 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MGAM | O43451 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | SI | P14410 | 1/20 | 0.47 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8777031 | 0.96 | CYP3A4 (0.69) | CYP3A4CYP2C9CYP2C19KMT2AALDH1A1 | |
| SCHEMBL476943 | 0.92 | KMT2A (0.76) | CYP3A4CYP2C9CYP2C19KMT2AALDH1A1 | |
| SCHEMBL13081239 | 0.90 | CYP3A4 (0.66) | CYP3A4CYP2C9CYP2C19KMT2AALDH1A1 | |
| SCHEMBL11743353 | 0.84 | ALDH1A1 (0.69) | ALDH1A1LMNARAB9AHPGDMAPK1 | |
| SCHEMBL15923755 | 0.80 | RAB9A (0.62) | CYP3A4CYP2C9CYP2C19ALDH1A1L3MBTL1 | |
| SCHEMBL8777025 | 0.80 | KMT2A (0.55) | CYP3A4CYP2C9CYP2C19KMT2AALDH1A1 | |
| SCHEMBL15693967 | 0.80 | ALDH1A1 (0.59) | CYP3A4CYP2C9CYP2C19KMT2AALDH1A1 | |
| SCHEMBL9053567 | 0.79 | ALDH1A1 (0.67) | ALDH1A1L3MBTL1TDP1LMNAMAPK1 | |
| SCHEMBL4168884 | 0.78 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19KMT2AALDH1A1 | |
| SCHEMBL4168874 | 0.78 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19KMT2AALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0800514-A1 | SUBSTITUTED IMIDES AS TNF INHIBITORS | CELGENE CORPORATION (US) | 1997-10-15 | — | — | EP | disclosed |
| WO-1996020926-A1 | SUBSTITUTED IMIDES AS TNF INHIBITORS | CELGENE CORPORATION (US) | 1996-07-11 | — | — | WO | disclosed |