Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 3/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | DRD5 | P21918 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | THRB | P10828 | 3/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HTR7 | P34969 | 1/20 | 0.30 |
| ▸ | HTR6 | P50406 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7117421 | 0.97 | CYP1A2 (0.48) | CYP1A2CYP2D6TMEM97HTR1AADRA1B | |
| SCHEMBL7130726 | 0.94 | CYP1A2 (0.40) | CYP1A2CYP2D6TMEM97HTR1AADRA1B | |
| SCHEMBL7124269 | 0.93 | CYP1A2 (0.36) | CYP1A2CYP2D6TMEM97HTR1ADRD2 | |
| SCHEMBL7128484 | 0.90 | KDM4E (0.35) | CYP1A2CYP2D6HTR1AADRA1BDRD2 | |
| SCHEMBL7123088 | 0.87 | THRB (0.36) | HTR1ADRD2HTR2ADRD1DRD5 | |
| SCHEMBL7119994 | 0.87 | CYP1A2 (0.32) | CYP1A2CYP2D6TMEM97HTR1AADRA1B | |
| SCHEMBL7128124 | 0.87 | KDM4E (0.34) | CYP1A2CYP2D6HTR1AADRA1BDRD2 | |
| SCHEMBL7124370 | 0.86 | HTR1A (0.34) | TMEM97HTR1AADRA1BDRD2HTR2A | |
| SCHEMBL7120263 | 0.85 | KDM4E (0.34) | HTR1AADRA1BDRD2DRD3KCNH2 | |
| SCHEMBL7126603 | 0.84 | DRD2 (0.36) | CYP1A2CYP2D6TMEM97HTR1ADRD2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030050306-A1 | Novel heteroaryl derivatives, their preparation and use | H. LUNDBECK A/S (DK) | 2003-03-13 | — | — | US | claimed |
| EP-1246820-A1 | NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE | H. LUNDBECK A/S (DK) | 2002-10-09 | — | — | EP | claimed |
| WO-2001049683-A1 | NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE | H. LUNDBECK A/S (DK) | 2001-07-12 | — | — | WO | claimed |
| US-20030050306-A1 | Novel heteroaryl derivatives, their preparation and use | H. LUNDBECK A/S (DK) | 2003-03-13 | — | — | US | disclosed |
| EP-1246820-A1 | NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE | H. LUNDBECK A/S (DK) | 2002-10-09 | — | — | EP | disclosed |
| WO-2001049683-A1 | NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE | H. LUNDBECK A/S (DK) | 2001-07-12 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030050306-A1 | Novel heteroaryl derivatives, their preparation and use | CRBN, CDR2, DRD3 | CYP1A2 770/4885CYP2D6 353/4885TMEM97 745/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.