Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 2/20 | 0.34 |
| ▸ | CCND1 | P24385 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6482946 | 0.92 | PTGDR2 (0.41) | PTGDR2KMT2AMEN1ACHECYP2C9 | |
| SCHEMBL6483886 | 0.72 | HTR2C (0.51) | KMT2AMEN1CYP2C9CDK4CCND1 | |
| SCHEMBL6493920 | 0.71 | PTGDR2 (0.50) | PTGDR2KMT2AMEN1CYP2C9KDM4E | |
| SCHEMBL6496372 | 0.70 | PTGDR2 (0.36) | PTGDR2KMT2AMEN1ACHECYP2C9 | |
| SCHEMBL6492296 | 0.68 | PTGDR2 (0.45) | PTGDR2CYP2C9ALDH1A1LMNATSHR | |
| SCHEMBL6483833 | 0.67 | HTR2C (0.47) | KMT2AMEN1CYP2C9KDM4E | |
| SCHEMBL14597201 | 0.62 | ACHE (0.61) | KMT2AMEN1ACHEALDH1A1LMNA | |
| SCHEMBL6485011 | 0.62 | PTGDR2 (0.44) | PTGDR2ACHECYP2C9CDK4CCND1 | |
| SCHEMBL6495425 | 0.60 | PTGDR2 (0.51) | PTGDR2CYP2C9KDM4EALDH1A1HSD11B1 | |
| SCHEMBL6498327 | 0.60 | PTGDR2 (0.45) | PTGDR2KMT2AMEN1CYP2C9ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6861432-B2 | Piperazine derivatives that destabilize androgen receptors | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-03-01 | — | — | US | disclosed |
| EP-1173440-B1 | TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS | UPJOHN CO (US) | 2004-09-15 | — | — | EP | disclosed |
| US-6407092-B1 | 5-HYDROXYTRYPTAMINE MODULATORS AND ANTISEROTONINE AGENTS; TREATING EATING, SEXUAL, SLEEP, NERVOUS SYSTEM, PSYCHOLOGICAL, AND GASTROINTESTINAL DISORDERS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS | PHARMACIA & UPJOHN COMPANY | 2002-06-18 | — | — | US | disclosed |