Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | RELA | Q04206 | 5/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | DHFR | P00374 | 1/20 | 0.46 |
| ▸ | APP | P05067 | 4/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.45 |
| ▸ | NQO1 | P15559 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | ABL1 | P00519 | 1/20 | 0.45 |
| ▸ | TTR | P02766 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5864866 | 1.00 | MAPT (0.53) | MAPTTRPA1RELACYP1A2NPC1 | |
| SCHEMBL5864973 | 0.84 | KDM4E (0.47) | MAPTRELACYP1A2NPC1RAB9A | |
| SCHEMBL5864968 | 0.84 | KDM4E (0.47) | MAPTRELACYP1A2NPC1RAB9A | |
| SCHEMBL4712457 | 0.82 | GRM4 (0.56) | MAPTNPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL4712459 | 0.82 | GRM4 (0.56) | MAPTNPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL5864794 | 0.81 | NPC1 (0.50) | MAPTCYP1A2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5864800 | 0.81 | NPC1 (0.50) | MAPTCYP1A2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5865233 | 0.81 | GRM4 (0.50) | MAPTNPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL5865235 | 0.81 | GRM4 (0.50) | MAPTNPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL5864846 | 0.78 | GRM4 (0.65) | MAPTTRPA1RELACYP1A2NPC1 |
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 | MAPT 911/4885TRPA1 211/4885RELA 1091/4885 |
| US-20030144525-A1 | Conjugated aromatic compounds with a pyridine substituent | GRIN2B, GRIN1, GRIN2C | MAPT 911/4885TRPA1 211/4885RELA 1091/4885 |
| US-20060058354-A1 | Conjugated aromatic compounds with a pyridine substituent | GRIN2B, GRIN3A, GRIN2C | MAPT 907/4885TRPA1 231/4885RELA 979/4885 |
“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.