Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 5/20 | 0.35 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 3/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2196143 | 0.73 | RAB9A (0.37) | ALDH1A1CNR2RAB9ANPC1MAPT | |
| SCHEMBL2965652 | 0.72 | S100A4 (0.39) | ALDH1A1RAB9ANPC1SMN1; SMN2NPSR1 | |
| SCHEMBL1247110 | 0.72 | TDP1 (0.40) | ALDH1A1RAB9ANPC1MAPTMEN1 | |
| SCHEMBL31619990 | 0.72 | METAP2 (0.38) | ALDH1A1NPC1MAPTMEN1KMT2A | |
| SCHEMBL30556736 | 0.72 | METAP2 (0.38) | ALDH1A1NPC1MAPTMEN1KMT2A | |
| SCHEMBL11869514 | 0.71 | METAP2 (0.31) | METAP2 | |
| SCHEMBL2649214 | 0.70 | — | — | |
| SCHEMBL6469994 | 0.69 | RAB9A (0.49) | ALDH1A1RAB9ANPC1MAPTMEN1 | |
| SCHEMBL17927231 | 0.68 | METAP2 (0.50) | ALDH1A1CNR2LMNAKDM4EHPGD | |
| SCHEMBL18905 | 0.67 | POLB (0.55) | RAB9ANPC1MAPTMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-6794393-B1 | inhibitors of VEGF; angiogenesis, cancer, tumor growth, atherosclerosis, age related macular degeneration, diabetic retinopathy, inflammatory diseases; 1H-indole compounds having a fused nitrogen heterocycle amide in the 2-position | MERCK & CO., INC. | 2004-09-21 | — | — | US | disclosed |