Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | NOS2 | P35228 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 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 | |
|---|---|---|---|---|
| SCHEMBL27035789 | 0.83 | SMN1; SMN2 (0.58) | NPSR1HTTMEN1KMT2A | |
| SCHEMBL17001907 | 0.81 | CHRM4 (0.58) | ALDH1A1KDM4EHPGDNPSR1GAA | |
| SCHEMBL17001700 | 0.78 | HTR2B (0.53) | ALDH1A1KDM4EHPGDNPSR1GAA | |
| SCHEMBL18788537 | 0.77 | THRB (0.50) | KDM4EGAAL3MBTL1HTTMAPT | |
| SCHEMBL16992488 | 0.74 | NOS2 (0.46) | ALDH1A1KDM4EHPGDNPSR1GAA | |
| SCHEMBL16992152 | 0.73 | ALDH1A1 (0.49) | ALDH1A1KDM4EHPGDNPSR1GAA | |
| SCHEMBL15431908 | 0.73 | HRH3 (0.39) | — | |
| SCHEMBL19924942 | 0.72 | POLB (0.64) | HSD17B10MAPT | |
| SCHEMBL23865988 | 0.71 | NOS2 (0.60) | ALDH1A1KDM4EGAAL3MBTL1TSHR | |
| SCHEMBL1219954 | 0.70 | GAA (0.65) | ALDH1A1KDM4EGAAL3MBTL1TSHR |
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-7491737-B2 | Heterarylpiperidine modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2009-02-17 | — | — | US | disclosed |
| US-20050250781-A1 | Heterarylpiperidine modulators of chemokine receptor activity | MERCK SHARP & DOHME CORP. | 2005-11-10 | — | — | 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-20050250781-A1 | Heterarylpiperidine modulators of chemokine receptor activity | CCR1, CCR2, CCRL2 | ALDH1A1 1116/4885KDM4E 4493/4885HPGD 706/4885 |
“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.