Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 9/20 | 0.36 |
| ▸ | MEN1 | O00255 | 8/20 | 0.36 |
| ▸ | NPC1 | O15118 | 7/20 | 0.35 |
| ▸ | RAB9A | P51151 | 7/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 5/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 7/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL4779384 | 1.00 | CYP19A1 (0.39) | CYP19A1KMT2AMEN1NPC1RAB9A | |
| SCHEMBL4777176 | 0.84 | CYP19A1 (0.50) | CYP19A1KMT2AMEN1NPC1RAB9A | |
| SCHEMBL4777170 | 0.84 | CYP19A1 (0.50) | CYP19A1KMT2AMEN1NPC1RAB9A | |
| SCHEMBL4782507 | 0.80 | RAB9A (0.47) | CYP19A1KMT2AMEN1NPC1RAB9A | |
| SCHEMBL4782113 | 0.78 | — | — | |
| SCHEMBL4782115 | 0.78 | — | — | |
| SCHEMBL4779959 | 0.69 | KDM4E (0.50) | KMT2AMEN1NPC1RAB9APOLB | |
| SCHEMBL6593960 | 0.68 | NPC1 (0.44) | CYP19A1KMT2AMEN1NPC1RAB9A | |
| SCHEMBL6593966 | 0.68 | NPC1 (0.44) | CYP19A1KMT2AMEN1NPC1RAB9A | |
| SCHEMBL4726947 | 0.67 | MAPT (0.38) | CYP19A1KMT2AMEN1ALDH1A1LMNA |
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-2008025526-A1 | INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-06 | — | — | WO | disclosed |