Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALML3 | P27482 | 6/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6024031 | 1.00 | CALML3 (0.47) | CALML3CYP3A4CYP2D6MAOACYP2C19 | |
| SCHEMBL6024033 | 1.00 | CALML3 (0.47) | CALML3CYP3A4CYP2D6MAOACYP2C19 | |
| SCHEMBL1393861 | 0.88 | MAOA (0.52) | CALML3CYP3A4CYP2D6MAOAHDAC3 | |
| SCHEMBL10196505 | 0.88 | MAOA (0.52) | CALML3CYP3A4CYP2D6MAOAHDAC3 | |
| SCHEMBL3166248 | 0.82 | MAOA (0.58) | CALML3MAOA | |
| SCHEMBL3166255 | 0.82 | MAOA (0.58) | CALML3MAOA | |
| SCHEMBL6024297 | 0.82 | MAOA (0.58) | CALML3MAOA | |
| Hydrochloric Acid SCHEMBL30061895 | 0.81 | MAOA (0.57) | CALML3MAOA | |
| SCHEMBL6024275 | 0.81 | CALML3 (0.49) | CALML3MAOA | |
| SCHEMBL6024277 | 0.81 | CALML3 (0.49) | CALML3MAOA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7129259-B2 | Halogenated biaryl heterocyclic compounds and methods of making and using the same | RIB-X PHARMACEUTICALS, INC. (US) | 2006-10-31 | — | — | US | disclosed |
| US-20060148869-A1 | Halogenated biaryl heterocyclic compounds and methods of making and using the same | CHEN SHILI | 2006-07-06 | — | — | US | disclosed |
| US-20050153971-A1 | Halogenated biaryl heterocyclic compounds and methods of making and using the same | MELINTA SUBSIDIARY CORP. | 2005-07-14 | — | — | 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-20050153971-A1 | Halogenated biaryl heterocyclic compounds and methods of making and using the same | PROKR1, PROKR2, PCNA | CALML3 4062/4885CYP3A4 356/4885CYP2D6 139/4885 |
| US-20060148869-A1 | Halogenated biaryl heterocyclic compounds and methods of making and using the same | PCNA, PROKR1, BCOR | CALML3 4101/4885CYP3A4 320/4885CYP2D6 133/4885 |
“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.