Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 1/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15428657 | 0.79 | TDO2 (0.61) | TDO2NPC1RAB9ATP53IDO1 | |
| SCHEMBL10166453 | 0.77 | CYP19A1 (0.53) | TDO2PTGS1PTGS2NPC1RAB9A | |
| SCHEMBL5776120 | 0.76 | TDO2 (0.49) | TDO2PTGS1PTGS2NPC1RAB9A | |
| SCHEMBL3178747 | 0.74 | NPC1 (0.50) | TDO2NPC1RAB9ATP53MAPT | |
| SCHEMBL5775490 | 0.73 | ALOX5 (0.52) | TP53MAPTCYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL6170416 | 0.72 | PTGS1 (0.60) | TDO2PTGS1PTGS2NPC1RAB9A | |
| SCHEMBL5774842 | 0.71 | TDO2 (0.44) | TDO2MAPTPTPN2PTPN1NOTUM | |
| SCHEMBL9953638 | 0.69 | NOTUM (0.47) | PTGS1PTGS2ESR2NPC1RAB9A | |
| SCHEMBL5546758 | 0.69 | ALDH1A1 (0.48) | PTGS1PTGS2ESR2NPC1RAB9A | |
| SCHEMBL9954839 | 0.69 | NPC1 (0.45) | PTGS1PTGS2ESR2NPC1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7456200-B2 | Compounds | ASTRAZENECA AB (SE) | 2008-11-25 | — | — | US | disclosed |
| US-20060122397-A1 | Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain | ASTRAZENECA AB (SE) | 2006-06-08 | — | — | US | 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-20060122397-A1 | Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain | GRM5, GRIK5, GRM1 | TDO2 4395/4885PTGS1 290/4885PTGS2 446/4885 |
“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.