Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 3/20 | 0.48 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | NMT1 | P30419 | 3/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 4/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 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 | |
|---|---|---|---|---|
| SCHEMBL3856295 | 0.86 | NCF1 (0.47) | NCF1CHRM4NMT1CNR2PIK3CA | |
| SCHEMBL3848117 | 0.85 | NCF1 (0.49) | NCF1CHRM4NMT1SLC22A12HTT | |
| SCHEMBL3846163 | 0.82 | NCF1 (0.52) | NCF1CHRM4CNR2PIK3CAMTOR | |
| SCHEMBL3848867 | 0.81 | NCF1 (0.47) | NCF1CHRM4NMT1TGFBR1SLC22A12 | |
| SCHEMBL3856298 | 0.72 | NCF1 (0.47) | NCF1CHRM4SLC22A12PPARGATM | |
| SCHEMBL3846425 | 0.72 | CHRM4 (0.51) | NCF1CHRM4HCRTR1HCRTR2 | |
| SCHEMBL21190487 | 0.72 | NCF1 (0.67) | NCF1CHRM4SLC22A12HTTADRB2 | |
| SCHEMBL3848808 | 0.71 | NCF1 (0.48) | NCF1SLC22A12POLBPPARGATM | |
| SCHEMBL1544187 | 0.71 | NCF1 (0.62) | NCF1CHRM4SLC22A12HTTADRB2 | |
| SCHEMBL21173526 | 0.71 | NCF1 (0.62) | NCF1CHRM4PIK3CASLC22A12HTT |
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 4 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-B1 | NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF | EISAI R&D MAN CO LTD (JP) | 2008-07-23 | — | — | EP | disclosed |
| US-7074801-B1 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | EISAI CO., LTD. (JP) | 2006-07-11 | — | — | US | 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 |