Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CHKA | P35790 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3898636 | 0.98 | CA2 (0.36) | CYP1A2CA2CHKAKDM4EKMT2A | |
| Hydrochloric Acid SCHEMBL4609226 | 0.97 | CA2 (0.35) | CYP1A2CA2CHKA | |
| SCHEMBL14434750 | 0.84 | CA2 (0.36) | CYP1A2CA2CHKAKMT2A | |
| SCHEMBL6159570 | 0.77 | MAPT (0.32) | CYP1A2 | |
| SCHEMBL8177031 | 0.76 | ALDH1A1 (0.46) | KDM4EKMT2A | |
| SCHEMBL4611388 | 0.74 | BRD4 (0.33) | CYP1A2 | |
| SCHEMBL6543859 | 0.74 | ALDH1A1 (0.49) | KDM4E | |
| SCHEMBL4612243 | 0.74 | CA2 (0.44) | CYP1A2CA2CHKAKMT2A | |
| SCHEMBL1127702 | 0.74 | ALDH1A1 (0.49) | KDM4E | |
| SCHEMBL7994140 | 0.74 | CA2 (0.39) | CYP1A2CA2CHKAKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1979319-A1 | NOVEL DUAL NK2/NK3-ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND PROCESSES FOR THEIR PREPARATIONS | Solvay Pharmaceuticals GmbH (DE) | 2008-10-15 | — | — | EP | disclosed |
| WO-2007088181-A1 | NOVEL DUAL NK2/NK3-ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND PROCESSES FOR THEIR PREPARATIONS | SOLVAY PHARMACEUTICALS GMBH (DE) | 2007-08-09 | — | — | WO | disclosed |
| WO-2005047253-A1 | MELANOCORTIN RECEPTOR AGONISTS | LG LIFE SCIENCES LTD. (KR) | 2005-05-26 | — | — | WO | disclosed |