Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 8/20 | 0.65 |
| ▸ | FAAH | O00519 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KDM5C | P41229 | 1/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | CCR2 | P41597 | 1/20 | 0.40 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29604268 | 0.86 | CXCR4 (0.78) | CXCR4SIGMAR1LMNAKDM5CKDM4C | |
| Hydrochloric Acid SCHEMBL5570623 | 0.86 | CXCR4 (0.78) | CXCR4SIGMAR1LMNAKDM5CKDM4C | |
| Bromide SCHEMBL29604778 | 0.86 | CXCR4 (0.78) | CXCR4SIGMAR1LMNAKDM5CKDM4C | |
| SCHEMBL839038 | 0.83 | FAAH (0.53) | CXCR4FAAHALDH1A1DRD2DRD3 | |
| SCHEMBL28184599 | 0.81 | CXCR4 (0.58) | CXCR4FAAHDRD2DRD3MEN1 | |
| SCHEMBL1089502 | 0.80 | CXCR4 (0.65) | CXCR4SIGMAR1LMNAKDM5CKDM4C | |
| SCHEMBL465778 | 0.80 | CXCR4 (0.77) | CXCR4FAAHALDH1A1MEN1KMT2A | |
| SCHEMBL17996820 | 0.80 | CXCR4 (0.65) | CXCR4SIGMAR1LMNAKDM5CKDM4C | |
| SCHEMBL465722 | 0.80 | CXCR4 (0.65) | CXCR4SIGMAR1LMNAKDM5CKDM4C | |
| SCHEMBL20831292 | 0.80 | CXCR4 (0.65) | CXCR4SIGMAR1LMNAKDM5CKDM4C |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102388043-A | Histamine h3 inverse agonists and antagonists and methods of use thereof | SEPRACOR INC | 2012-03-21 | — | — | CN | disclosed |
| 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 |