Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.40 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3060330 | 0.95 | RPS6KA5 (0.41) | RPS6KA5MAPTGAACYP11B1CYP11B2 | |
| SCHEMBL3065544 | 0.91 | TBXA2R (0.39) | RPS6KA5MAPTCYP11B1CYP11B2KMT2A | |
| SCHEMBL3060709 | 0.90 | KDM4E (0.45) | RPS6KA5MAPTGAACYP11B1CYP11B2 | |
| SCHEMBL3062446 | 0.89 | CYP11B1 (0.36) | RPS6KA5MAPTGAACYP11B1CYP11B2 | |
| SCHEMBL3054829 | 0.88 | CNR2 (0.38) | RPS6KA5GRIN2BMEN1KMT2AKDM4E | |
| SCHEMBL3059727 | 0.88 | RPS6KA5 (0.34) | RPS6KA5MAPTGAACYP11B1CYP11B2 | |
| SCHEMBL3060160 | 0.88 | S1PR1 (0.36) | RPS6KA5MAPTGAACYP11B1CYP11B2 | |
| SCHEMBL3055159 | 0.87 | THRB (0.52) | NLRP3MAPTGAAMEN1KMT2A | |
| SCHEMBL3068783 | 0.87 | MAPT (0.43) | NLRP3RPS6KA5MAPTGAAMEN1 | |
| SCHEMBL3065422 | 0.87 | ALDH1A1 (0.41) | GAAALDH1A1KDM4EHPGDTBXA2R |
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-7300945-B2 | Benzimidazole and pyridylimidazole derivatives | NEUROGEN CORPORATION (US) | 2007-11-27 | — | — | US | disclosed |