Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RBP4 | P02753 | 1/20 | 0.50 |
| ▸ | CALCRL | Q16602 | 10/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.44 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23748832 | 0.85 | KDM4E (0.52) | RBP4CALCRLKDM4E | |
| SCHEMBL5745535 | 0.85 | RBP4 (0.51) | RBP4CALCRLAKR1C3KDM4EALDH1A1 | |
| SCHEMBL29872305 | 0.84 | RBP4 (0.50) | RBP4CALCRLAKR1C3KDM4EALDH1A1 | |
| SCHEMBL13313599 | 0.81 | HRH4 (0.49) | RBP4CALCRLBRD4CYP3A4 | |
| SCHEMBL23564700 | 0.79 | AKR1C3 (0.45) | RBP4CALCRLAKR1C3CYP3A4 | |
| SCHEMBL27792401 | 0.79 | DAO (0.53) | KDM4EALDH1A1BRD4SMYD3CYP3A4 | |
| SCHEMBL14540181 | 0.78 | BRD4 (0.44) | RBP4CALCRLALDH1A1BRD4SMYD3 | |
| SCHEMBL13801368 | 0.77 | BRD4 (0.43) | RBP4CALCRLAKR1C3ALDH1A1BRD4 | |
| SCHEMBL677495 | 0.76 | BRD4 (0.50) | KDM4EALDH1A1BRD4SMYD3MEN1 | |
| SCHEMBL16801496 | 0.75 | KDM4E (0.76) | KDM4EALDH1A1BRD4POLBCREBBP |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7947678-B2 | Heterocyclic benzodiazepine CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-05-24 | — | — | US | disclosed |
| US-7947678-B2 | Heterocyclic benzodiazepine CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-05-24 | — | — | US | disclosed |
| US-20090105228-A1 | Heterocyclic benzodiazepine cgrp receptor antagonists | MERCK SHARP & DOHME LLC | 2009-04-23 | — | — | US | disclosed |
| US-20090105228-A1 | Heterocyclic benzodiazepine cgrp receptor antagonists | MERCK SHARP & DOHME LLC | 2009-04-23 | — | — | 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-20090105228-A1 | Heterocyclic benzodiazepine cgrp receptor antagonists | BDKRB2, BDKRB1, CCKBR | RBP4 3136/4885CALCRL 15/4885AKR1C3 1168/4885 |
“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.