Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10584664 | 0.70 | — | — | |
| SCHEMBL97111 | 0.70 | — | — | |
| SCHEMBL30685127 | 0.68 | ALDH1A1 (0.35) | TSHRALDH1A1CYP1A2CYP2D6NOS3 | |
| SCHEMBL419996 | 0.68 | — | — | |
| SCHEMBL9181484 | 0.68 | — | — | |
| SCHEMBL9181469 | 0.68 | — | — | |
| SCHEMBL3065037 | 0.67 | — | — | |
| SCHEMBL8042534 | 0.67 | — | — | |
| SCHEMBL3390515 | 0.67 | — | — | |
| SCHEMBL35180 | 0.67 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7301029-B2 | Bipyridine Derivatives | FUJIFILM FINECHEMICALS CO., LTD. (JP) | 2007-11-27 | — | — | US | disclosed |
| US-20050085642-A1 | Novel bipyridine derivatives | SANKIO CHEMICAL CO., LTD. | 2005-04-21 | — | — | US | disclosed |
| EP-0810858-A4 | BORONIC ACID AND ESTER INHIBITORS OF THROMBIN | DU PONT PHARM CO (US) | 2000-11-15 | — | — | EP | disclosed |
| US-6060462-A | Electrophilic peptide analogs as inhibitors of trypsin-like enzymes | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-05-09 | — | — | US | disclosed |
| EP-0724446-A4 | ELECTROPHILIC PEPTIDE ANALOGS AS INHIBITORS OF TRYPSIN-LIKE ENZYMES | DU PONT MERCK PHARMA (US) | 1998-01-07 | — | — | EP | disclosed |
| US-5698538-A | Boronic acid and ester inhibitors of thrombin | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-12-16 | — | — | US | disclosed |
| EP-0810858-A2 | BORONIC ACID AND ESTER INHIBITORS OF THROMBIN | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-12-10 | — | — | EP | disclosed |
| US-5563127-A | USEFUL TO TREAT THROMBOSIS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-10-08 | — | — | US | disclosed |
| EP-0724446-A1 | ELECTROPHILIC PEPTIDE ANALOGS AS INHIBITORS OF TRYPSIN-LIKE ENZYMES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-08-07 | — | — | EP | disclosed |
| WO-1996020689-A2 | BORONIC ACID AND ESTER INHIBITORS OF THROMBIN | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-07-11 | — | — | WO | disclosed |
| WO-1995009634-A1 | ELECTROPHILIC PEPTIDE ANALOGS AS INHIBITORS OF TRYPSIN-LIKE ENZYMES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-04-13 | — | — | 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-20050085642-A1 | Novel bipyridine derivatives | PFAS, CBR3, Q6ZSR9 | TSHR 726/4885ALDH1A1 620/4885CYP1A2 642/4885 |
“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.