Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 3/20 | 0.47 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 6/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | IDE | P14735 | 1/20 | 0.31 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.30 |
| ▸ | NMT1 | P30419 | 2/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | HTR1D | P28221 | 1/20 | 0.30 |
| ▸ | HTR1B | P28222 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR7 | P34969 | 1/20 | 0.30 |
| ▸ | HTR6 | P50406 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3851360 | 0.85 | HTT (0.49) | CHRM4HTTALDH1A1NPSR1MEN1 | |
| SCHEMBL3848117 | 0.82 | NCF1 (0.49) | NCF1CHRM4SLC22A12HTTALDH1A1 | |
| SCHEMBL3848807 | 0.81 | NCF1 (0.48) | NCF1CHRM4SLC22A12HTTTGFBR1 | |
| SCHEMBL3856295 | 0.77 | NCF1 (0.47) | NCF1CHRM4SLC22A12HTTTGFBR1 | |
| SCHEMBL3846163 | 0.77 | NCF1 (0.52) | NCF1CHRM4HTR1A | |
| SCHEMBL3848381 | 0.75 | NCF1 (0.47) | NCF1CHRM4SLC22A12ALDH1A1IDE | |
| SCHEMBL21190487 | 0.70 | NCF1 (0.67) | NCF1CHRM4SLC22A12HTTALDH1A1 | |
| SCHEMBL1544187 | 0.70 | NCF1 (0.62) | NCF1CHRM4SLC22A12HTTALDH1A1 | |
| SCHEMBL3848120 | 0.69 | NCF1 (0.50) | NCF1CHRM4SLC22A12ALDH1A1MEN1 | |
| SCHEMBL3845241 | 0.69 | NCF1 (0.61) | NCF1CHRM4SLC22A12ALDH1A1IDE |
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-2048142-A2 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | Eisai R&D Management Co., Ltd. (JP) | 2009-04-15 | — | — | EP | disclosed |
| EP-1382603-A1 | NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF | Eisai Co., Ltd. (JP) | 2004-01-21 | — | — | EP | disclosed |