Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 4/20 | 0.32 |
| ▸ | CA1 | P00915 | 3/20 | 0.32 |
| ▸ | CA12 | O43570 | 3/20 | 0.32 |
| ▸ | CA9 | Q16790 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | F13A1 | P00488 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13912975 | 0.98 | TDP1 (0.41) | TDP1ALDH1A1TSHRCYP2C19CYP1A2 | |
| SCHEMBL13912970 | 0.93 | PTGS1 (0.34) | TDP1ALDH1A1TSHRCYP2C19CYP1A2 | |
| SCHEMBL21088215 | 0.87 | TSHR (0.45) | ALDH1A1TSHRCYP2C19CYP1A2CA2 | |
| SCHEMBL3690416 | 0.85 | TSHR (0.43) | ALDH1A1TSHRCYP2C19CYP1A2CA2 | |
| SCHEMBL14262135 | 0.85 | TSHR (0.43) | ALDH1A1TSHRCYP2C19CYP1A2CA2 | |
| SCHEMBL10045125 | 0.82 | CYP2C19 (0.46) | ALDH1A1TSHRCYP2C19CYP1A2CA2 | |
| SCHEMBL7963768 | 0.82 | GSR (0.35) | ALDH1A1KDM4E | |
| SCHEMBL10045123 | 0.82 | CYP2C19 (0.45) | ALDH1A1TSHRCYP2C19CYP1A2CA2 | |
| SCHEMBL23080315 | 0.81 | ALDH1A1 (0.36) | ALDH1A1TSHRKDM4EMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL6893639 | 0.80 | GSR (0.37) | ALDH1A1KDM4ESMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090062280-A1 | Ophthalmic Compositions for Treating Ocular Hypertension | MERCK SHARP & DOHME CORP. | 2009-03-05 | — | — | US | disclosed |
| US-20090062280-A1 | Ophthalmic Compositions for Treating Ocular Hypertension | MERCK SHARP & DOHME CORP. | 2009-03-05 | — | — | US | 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-20090062280-A1 | Ophthalmic Compositions for Treating Ocular Hypertension | KCNN3, KCNN1, KCNN2 | TDP1 2470/4885ALDH1A1 1707/4885TSHR 3563/4885 |
“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.