Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PADI4 | Q9UM07 | 3/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL5716711 | 0.92 | AHR (0.48) | PADI4AHRMAP2K1CYP19A1IDO1 | |
| SCHEMBL5716707 | 0.70 | KDM4E (0.41) | PADI4AHRALDH1A1MEN1KMT2A | |
| SCHEMBL5716660 | 0.69 | KDM4E (0.39) | AHRALDH1A1MEN1KMT2A | |
| SCHEMBL10325403 | 0.68 | AHR (0.44) | PADI4AHRMAP2K1CYP19A1IDO1 | |
| SCHEMBL586772 | 0.65 | AHR (0.41) | PADI4AHRMAP2K1CYP19A1IDO1 | |
| Nicotinaldehyde SCHEMBL28069499 | 0.63 | ALDH1A1 (0.58) | CYP19A1ALDH1A1MEN1KMT2ACYP1A2 | |
| Nicotinaldehyde SCHEMBL55950 | 0.63 | — | — | |
| Nicotinaldehyde SCHEMBL29364000 | 0.63 | — | — | |
| SCHEMBL30214962 | 0.62 | AHR (0.71) | AHRIDO1ALDH1A1MEN1KMT2A | |
| Nicotinaldehyde SCHEMBL28864658 | 0.62 | CYP11B2 (0.47) | CYP19A1ALDH1A1MEN1KMT2ACYP1A1 |
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-1276720-A2 | 2-ACYL INDOL DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS | ASTA Medica AG (DE) | 2003-01-22 | — | — | EP | disclosed |
| WO-2001082909-A2 | 2-ACYL INDOL DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS | BAXTER HEALTHCARE SA (DE) | 2001-11-08 | — | — | WO | disclosed |