Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5315811 | 0.82 | HDAC1 (0.52) | HDAC1CYP1A2CYP3A4TSHRCYP2C19 | |
| SCHEMBL2896191 | 0.81 | HDAC1 (0.51) | HDAC1CYP1A2CYP3A4TSHRCYP2C19 | |
| SCHEMBL2899293 | 0.79 | HDAC1 (0.60) | HDAC1CYP1A2CYP3A4TSHRCYP2C19 | |
| SCHEMBL25402344 | 0.79 | HDAC1 (0.57) | HDAC1CYP1A2TSHRCYP2C19PTGS1 | |
| SCHEMBL20592359 | 0.78 | HDAC1 (0.49) | HDAC1CYP1A2CYP3A4TSHRCYP2C19 | |
| SCHEMBL24011415 | 0.78 | HDAC1 (0.48) | HDAC1CYP1A2CYP3A4TSHRCYP2C19 | |
| SCHEMBL2895467 | 0.76 | CDC7 (0.61) | HDAC1CDC7P2RX7CYP19A1HDAC3 | |
| SCHEMBL1481997 | 0.73 | HDAC1 (0.51) | HDAC1CYP1A2CYP3A4TSHRCYP2C19 | |
| SCHEMBL17086049 | 0.73 | CDC7 (0.54) | HDAC1CDC7P2RX7CYP19A1HDAC3 | |
| SCHEMBL20497362 | 0.72 | CDC7 (0.56) | HDAC1TSHRCYP2C19CDC7P2RX7 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140275017-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2014-09-18 | — | — | US | disclosed |
| US-20140275017-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2014-09-18 | — | — | US | disclosed |
| US-8778957-B2 | CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2014-07-15 | — | — | US | disclosed |
| US-8778957-B2 | CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2014-07-15 | — | — | US | disclosed |
| US-20120010193-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-01-12 | — | — | US | disclosed |
| US-20120010193-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-01-12 | — | — | 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 (2 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-20140275017-A1 | CGRP RECEPTOR ANTAGONISTS | BDKRB1, CALCRL, BDKRB2 | HDAC1 1987/4885CYP1A2 1074/4885CYP3A4 2947/4885 |
| US-20120010193-A1 | CGRP RECEPTOR ANTAGONISTS | BDKRB1, BDKRB2, CALCRL | HDAC1 2005/4885CYP1A2 1048/4885CYP3A4 2986/4885 |
“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.