Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 5/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 3/20 | 0.31 |
| ▸ | EGFR | P00533 | 3/20 | 0.31 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.31 |
| ▸ | INSR | P06213 | 3/20 | 0.31 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.31 |
| ▸ | CDK2 | P24941 | 3/20 | 0.31 |
| ▸ | PLK1 | P53350 | 3/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.31 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3846505 | 0.90 | PTGS2 (0.33) | PIK3CAMTORKIT | |
| SCHEMBL3846708 | 0.88 | PTGS1 (0.34) | PIK3CAMTORKIT | |
| SCHEMBL3856217 | 0.85 | CA12 (0.32) | — | |
| SCHEMBL3854489 | 0.85 | PTGS2 (0.35) | PIK3CAMTORKIT | |
| SCHEMBL3848501 | 0.82 | CA12 (0.35) | PIK3CAMTORKIT | |
| SCHEMBL3852886 | 0.81 | CYP3A4 (0.33) | — | |
| SCHEMBL3855967 | 0.81 | PIK3CD (0.41) | PIK3CAMTOREGFRKIT | |
| SCHEMBL3851659 | 0.81 | PIK3CA (0.34) | BRD4PIK3CAMTORABL1EGFR | |
| SCHEMBL3846444 | 0.81 | CA12 (0.33) | KIT | |
| SCHEMBL3856682 | 0.80 | CLK4 (0.37) | PIK3CA |
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 |