Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.33 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.33 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 3/20 | 0.32 |
| ▸ | DRD4 | P21917 | 3/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 2/20 | 0.31 |
| ▸ | F7 | P08709 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | F3 | P13726 | 1/20 | 0.31 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL5782002 | 0.73 | KDM1A (0.42) | HTR2AHTR2CHTR2BDRD2KDM1A | |
| SCHEMBL29957421 | 0.73 | KDM1A (0.42) | HTR2AHTR2CHTR2BDRD2KDM1A | |
| SCHEMBL5864919 | 0.72 | HTR2A (0.38) | HTR2AHTR2CHTR2BHTTHSD17B3 | |
| SCHEMBL24176861 | 0.66 | GSK3B (0.42) | HTTHSD17B3SRD5A1SRD5A2PNMT | |
| SCHEMBL9822482 | 0.66 | ACHE (0.42) | HTTSRD5A1DRD2DRD4DRD3 | |
| SCHEMBL15319224 | 0.65 | CYP11B1 (0.47) | ENPP2PNMTDRD2KDM1ADRD3 | |
| SCHEMBL2280630 | 0.65 | HTR2A (0.42) | HTR2AHTR2CHTR2BHTTPNMT | |
| SCHEMBL15962624 | 0.64 | — | — | |
| SCHEMBL21474578 | 0.63 | ALOX15 (0.43) | MEN1KMT2A | |
| Ammonia Solution, Strong SCHEMBL10465265 | 0.62 | HTR2A (0.67) | HTR2AHTR2CHTR2BHTTHSD17B3 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7034044-B2 | Conjugated aromatic compounds with a pyridine substituent | HOFFMANN-LA ROCHE INC. (US) | 2006-04-25 | — | — | US | disclosed |
| US-20060058354-A1 | Conjugated aromatic compounds with a pyridine substituent | ALANINE ALEXANDER | 2006-03-16 | — | — | US | disclosed |
| US-6951875-B2 | Conjugated aromatic compounds with a pyridine substituent | HOFFMANN-LA ROCHE INC. (US) | 2005-10-04 | — | — | US | disclosed |
| EP-1443926-A1 | PYRIDINE DERIVATIVES AS NMDA-RECEPTOR SUBTYPE BLOCKERS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-08-11 | — | — | EP | disclosed |
| US-20040068118-A1 | Conjugated aromatic compounds with a pyridine substituent | ALANINE ALEXANDER (FR) | 2004-04-08 | — | — | US | disclosed |
| US-20030144525-A1 | Conjugated aromatic compounds with a pyridine substituent | HOFFMANN-LA ROCHE INC. | 2003-07-31 | — | — | US | disclosed |
| WO-2003037333-A1 | PYRIDINE DERIVATIVES AS NMDA-RECEPTOR SUBTYPE BLOCKERS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-05-08 | — | — | 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 (3 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-20040068118-A1 | Conjugated aromatic compounds with a pyridine substituent | GRIN2B, GRIN1, GRIN2C | HTR2A 275/4885HTR2C 234/4885HTR2B 180/4885 |
| US-20030144525-A1 | Conjugated aromatic compounds with a pyridine substituent | GRIN2B, GRIN1, GRIN2C | HTR2A 275/4885HTR2C 234/4885HTR2B 180/4885 |
| US-20060058354-A1 | Conjugated aromatic compounds with a pyridine substituent | GRIN2B, GRIN3A, GRIN2C | HTR2A 326/4885HTR2C 291/4885HTR2B 206/4885 |
“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.