Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.70 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | PDE1A | P54750 | 2/20 | 0.43 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.43 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5852468 | 0.83 | CYP1A2 (0.56) | CYP1A2CYP2D6CYP2C19LMNATDP1 | |
| SCHEMBL11299014 | 0.77 | CYP1A2 (0.77) | CYP1A2CYP2D6CYP2C19LMNATDP1 | |
| SCHEMBL1347141 | 0.76 | ALDH1A1 (0.48) | CYP1A2CYP2D6CYP2C19LMNATDP1 | |
| SCHEMBL27924015 | 0.76 | CYP1A2 (0.56) | CYP1A2CYP2D6CYP2C19LMNATDP1 | |
| SCHEMBL3316584 | 0.75 | CYP1A2 (0.61) | CYP1A2CYP2D6CYP2C19LMNATDP1 | |
| SCHEMBL3319487 | 0.75 | CYP1A2 (0.55) | CYP1A2CYP2D6CYP2C19LMNATDP1 | |
| SCHEMBL1350517 | 0.74 | KMT2A (0.52) | CYP1A2CYP2D6CYP2C19TDP1KMT2A | |
| SCHEMBL697409 | 0.74 | CYP1A2 (0.54) | CYP1A2CYP2D6CYP2C19LMNATDP1 | |
| SCHEMBL697649 | 0.74 | CYP1A2 (0.54) | CYP1A2CYP2D6CYP2C19LMNATDP1 | |
| SCHEMBL23204988 | 0.74 | L3MBTL1 (0.60) | CYP1A2CYP2D6CYP2C19LMNAKMT2A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8063090-B2 | Mineralocorticoid receptor modulators | MERCK SHARP & DOHME CORP. (US) | 2011-11-22 | — | — | US | claimed |
| US-20100069452-A1 | MINERALOCORTICOID RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. | 2010-03-18 | — | — | US | claimed |
| US-8063090-B2 | Mineralocorticoid receptor modulators | MERCK SHARP & DOHME CORP. (US) | 2011-11-22 | — | — | US | disclosed |
| US-8063090-B2 | Mineralocorticoid receptor modulators | MERCK SHARP & DOHME CORP. (US) | 2011-11-22 | — | — | US | disclosed |
| US-8063090-B2 | Mineralocorticoid receptor modulators | MERCK SHARP & DOHME CORP. (US) | 2011-11-22 | — | — | US | disclosed |
| US-20100069452-A1 | MINERALOCORTICOID RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. | 2010-03-18 | — | — | US | disclosed |
| US-20100069452-A1 | MINERALOCORTICOID RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. | 2010-03-18 | — | — | US | disclosed |
| US-20100069452-A1 | MINERALOCORTICOID RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. | 2010-03-18 | — | — | US | disclosed |
| WO-2008118319-A2 | MINERALOCORTICOID RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2008-10-02 | — | — | 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-20100069452-A1 | MINERALOCORTICOID RECEPTOR MODULATORS | NR3C2, MC2R, NR3C1 | CYP1A2 564/4885CYP2D6 391/4885CYP2C19 228/4885 |
“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.