Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.63 |
| ▸ | RAB9A | P51151 | 2/20 | 0.63 |
| ▸ | MEN1 | O00255 | 1/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.63 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.58 |
| ▸ | RELA | Q04206 | 7/20 | 0.49 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.47 |
| ▸ | ABL1 | P00519 | 1/20 | 0.47 |
| ▸ | TTR | P02766 | 1/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | BCR | P11274 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | NQO2 | P16083 | 1/20 | 0.47 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5865302 | 1.00 | NPC1 (0.63) | NPC1RAB9AMEN1KMT2ATRPA1 | |
| SCHEMBL6561252 | 0.82 | MEN1 (0.59) | RAB9AMEN1KMT2ATRPA1RELA | |
| SCHEMBL14101483 | 0.82 | MEN1 (0.59) | RAB9AMEN1KMT2ATRPA1RELA | |
| SCHEMBL5865373 | 0.81 | RAB9A (0.69) | NPC1RAB9AMEN1KMT2ARELA | |
| SCHEMBL5865378 | 0.81 | RAB9A (0.69) | NPC1RAB9AMEN1KMT2ARELA | |
| SCHEMBL4712805 | 0.81 | RAB9A (0.67) | NPC1RAB9AMEN1KMT2ANFE2L2 | |
| SCHEMBL4712807 | 0.81 | RAB9A (0.67) | NPC1RAB9AMEN1KMT2ANFE2L2 | |
| Iodide SCHEMBL6559782 | 0.81 | MEN1 (0.62) | NPC1RAB9AMEN1KMT2ATRPA1 | |
| Iodide SCHEMBL6858468 | 0.81 | MEN1 (0.62) | NPC1RAB9AMEN1KMT2ATRPA1 | |
| SCHEMBL5865005 | 0.78 | RAB9A (0.64) | NPC1RAB9AMEN1KMT2ANFE2L2 |
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 | NPC1 646/4885RAB9A 2741/4885MEN1 2517/4885 |
| US-20030144525-A1 | Conjugated aromatic compounds with a pyridine substituent | GRIN2B, GRIN1, GRIN2C | NPC1 646/4885RAB9A 2741/4885MEN1 2517/4885 |
| US-20060058354-A1 | Conjugated aromatic compounds with a pyridine substituent | GRIN2B, GRIN3A, GRIN2C | NPC1 804/4885RAB9A 2959/4885MEN1 2586/4885 |
“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.