Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.33 |
| ▸ | TUBB | P07437 | 1/20 | 0.33 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.33 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.33 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.33 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.33 |
| ▸ | TUBB3 | Q13509 | 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 | |
|---|---|---|---|---|
| SCHEMBL21335595 | 0.84 | CYP19A1 (0.42) | CYP19A1NQO2GAAKDM4EMAPT | |
| SCHEMBL18247727 | 0.78 | CYP19A1 (0.40) | CYP19A1NQO2GAAMAPTALDH1A1 | |
| SCHEMBL18247494 | 0.69 | TUBB4A (0.44) | CYP19A1NQO2GAAKDM4EMAPT | |
| SCHEMBL29953247 | 0.62 | CYP19A1 (0.43) | CYP19A1NQO2KDM4EMAPTNPSR1 | |
| SCHEMBL1742563 | 0.62 | KDM4E (0.46) | CYP19A1NQO2GAAKDM4EMAPT | |
| SCHEMBL21335586 | 0.62 | CCR2 (0.43) | CYP19A1NQO2GAAKDM4EMAPT | |
| SCHEMBL27199552 | 0.61 | TDP1 (0.46) | KDM4ESMN1; SMN2HSD17B10HTTKMT2A | |
| SCHEMBL30498072 | 0.61 | TDP1 (0.46) | KDM4ESMN1; SMN2HSD17B10HTTKMT2A | |
| SCHEMBL30701949 | 0.61 | CA9 (0.50) | CYP19A1KDM4EMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL3674074 | 0.61 | CA9 (0.50) | CYP19A1KDM4EMAPTSMN1; SMN2ALDH1A1 |
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-2016185279-A1 | BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2016-11-24 | — | — | WO | disclosed |