Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.48 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.31 |
| ▸ | EGLN1 | Q9GZT9 | 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 | |
|---|---|---|---|---|
| SCHEMBL2535846 | 0.84 | ESR1 (0.48) | ESR1ELANECTDSP1LMNAPOLB | |
| SCHEMBL30414063 | 0.81 | ESR1 (0.46) | ESR1ELANECTDSP1LMNAPOLB | |
| SCHEMBL25235219 | 0.78 | ESR1 (0.44) | ESR1ELANECTDSP1 | |
| SCHEMBL11200698 | 0.78 | ESR1 (0.57) | ESR1ELANELMNAPOLBGAA | |
| SCHEMBL30968024 | 0.72 | ESR1 (0.38) | ESR1ELANECTDSP1LMNAPOLB | |
| SCHEMBL5333421 | 0.72 | ESR1 (0.38) | ESR1ELANECTDSP1LMNAPOLB | |
| SCHEMBL4556149 | 0.70 | SMN1; SMN2 (0.43) | ESR1LMNAPOLB | |
| SCHEMBL11315499 | 0.68 | PDPK1 (0.37) | PKM | |
| SCHEMBL11080740 | 0.67 | ALDH1A1 (0.40) | ESR1ELANECTDSP1LMNAPOLB | |
| SCHEMBL20659863 | 0.67 | ELANE (0.40) | ESR1ELANECTDSP1LMNAPKM |
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-7951797-B2 | 1-heteroaryl-4-benzoyl-5-(alkyl or cycloalkyl)-1,4-diazepanes; sleep disorders, analgesics, obesity, Parkinson's disease, psychosis and schizophrenia; 6-fluoro-2-{(5R)-5-methyl-4-[2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepan-1-yl}quinazoline for example | MERCK SHARP & DOHME CORP. (US) | 2011-05-31 | — | — | US | disclosed |
| US-20080132490-A1 | Substituted diazepan orexin receptor antagonists | MERCK SHARP & DOHME LLC | 2008-06-05 | — | — | 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-20080132490-A1 | Substituted diazepan orexin receptor antagonists | HCRTR2, HCRTR1, CRHR1 | ESR1 926/4885ELANE 2925/4885CTDSP1 4638/4885 |
“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.