Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.43 |
| ▸ | TNF | P01375 | 1/20 | 0.42 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.42 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6924319 | 0.86 | CYP2C9 (0.42) | CYP2C9CYP2D6TDP1HIF1ATSHR | |
| SCHEMBL6924315 | 0.83 | MEN1 (0.48) | CYP2D6ALDH1A1CYP2C19CYP1A2NPSR1 | |
| SCHEMBL3407954 | 0.82 | TDP1 (0.62) | CYP2D6TDP1HIF1ATSHRALDH1A1 | |
| SCHEMBL28905894 | 0.81 | CA12 (0.47) | CYP2D6TDP1TSHRALDH1A1HSD17B10 | |
| SCHEMBL29199324 | 0.80 | TDP1 (0.64) | CYP2D6TDP1HIF1ATSHRALDH1A1 | |
| Hydrogen Peroxide SCHEMBL28474133 | 0.80 | TDP1 (0.64) | CYP2D6TDP1HIF1ATSHRALDH1A1 | |
| SCHEMBL260960 | 0.80 | TDP1 (0.64) | CYP2D6TDP1HIF1ATSHRALDH1A1 | |
| Hydrogen Peroxide SCHEMBL28425777 | 0.80 | TDP1 (0.64) | CYP2D6TDP1HIF1ATSHRALDH1A1 | |
| SCHEMBL548281 | 0.79 | CA1 (0.51) | TDP1TSHRALDH1A1HSD17B10CA12 | |
| Hydrochloric Acid SCHEMBL23276979 | 0.79 | TDP1 (0.62) | CYP2D6TDP1HIF1ATSHRALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6515011-B2 | Anticoagulants | MERCK & CO., INC. | 2003-02-04 | — | — | US | disclosed |
| US-20020119992-A1 | Thrombin inhibitors | MERCK & CO., INC. | 2002-08-29 | — | — | US | disclosed |
| WO-2002050056-A1 | BENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-06-27 | — | — | 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-20020119992-A1 | Thrombin inhibitors | SERPINC1, F2, TFPI | CYP2C9 1027/4885CYP2D6 3676/4885TDP1 2220/4885 |
“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.