Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | RAB9A | P51151 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 2/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.63 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.62 |
| ▸ | CASP3 | P42574 | 1/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.56 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL17260678 | 0.95 | TDP1 (0.68) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29168851 | 0.91 | RAB9A (0.68) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL30758623 | 0.91 | RAB9A (0.68) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10423514 | 0.88 | TDP1 (0.64) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL11709105 | 0.87 | RAB9A (0.62) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28169935 | 0.84 | GSK3A (0.55) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8801774 | 0.84 | NR1H2 (0.62) | ALDH1A1RAB9AMEN1KMT2AHSD17B10 | |
| SCHEMBL2206546 | 0.84 | RAB9A (0.53) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10050510 | 0.83 | RAB9A (0.85) | RAB9AMEN1KMT2AHSD17B10TDP1 | |
| SCHEMBL6283135 | 0.83 | TDP1 (0.66) | ALDH1A1CASP3TDP1L3MBTL1 |
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 3 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-A9 | SUBSTITUTED IMIDES AS TNF INHIBITORS | — | 1996-09-26 | — | — | WO | disclosed |
| WO-1996020926-A1 | SUBSTITUTED IMIDES AS TNF INHIBITORS | CELGENE CORPORATION (US) | 1996-07-11 | — | — | WO | disclosed |