Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.34 |
| ▸ | NAMPT | P43490 | 2/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.34 |
| ▸ | F2R | P25116 | 1/20 | 0.34 |
| ▸ | SSTR4 | P31391 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31420630 | 0.83 | CYP2D6 (0.44) | CYP2D6NAMPTITGB3ITGA2BF2R | |
| SCHEMBL856649 | 0.83 | CYP2D6 (0.44) | CYP2D6NAMPTITGB3ITGA2BF2R | |
| SCHEMBL16494745 | 0.81 | CYP2D6 (0.50) | CYP2D6EPHX1EPHX2NAMPTITGB3 | |
| SCHEMBL18554734 | 0.75 | CHRM2 (0.40) | NAMPTITGB3ITGA2BF2RSSTR4 | |
| SCHEMBL18555353 | 0.75 | CHRM2 (0.40) | NAMPTITGB3ITGA2BF2RSSTR4 | |
| SCHEMBL18554735 | 0.75 | CHRM2 (0.40) | NAMPTITGB3ITGA2BF2RSSTR4 | |
| SCHEMBL3923833 | 0.74 | CYP2D6 (0.37) | CYP2D6EPHX1EPHX2PKM | |
| SCHEMBL25051622 | 0.73 | CYP2D6 (0.50) | CYP2D6EPHX1EPHX2ITGB3ITGA2B | |
| SCHEMBL6070645 | 0.71 | DPP4 (0.32) | PKMDPP4 | |
| SCHEMBL4793567 | 0.69 | CYP2D6 (0.44) | CYP2D6EPHX1ITGB3ITGA2BF2R |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7666862-B2 | 2,4-Diphenyl-1-(hexamethylenimin-4-ylaminocarbonyl)dihydropyrrole derivatives that are useful for treating cancer | MERCK & CO., INC. (US) | 2010-02-23 | — | — | US | disclosed |
| EP-1656146-A4 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2009-04-15 | — | — | EP | disclosed |
| EP-1664026-B1 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2009-01-21 | — | — | EP | disclosed |
| US-7465746-B2 | Fluorinated 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP | MERCK & CO., INC. (US) | 2008-12-16 | — | — | US | disclosed |
| US-20080199459-A1 | Mitotic Kinesin Inhibitors | MERCK SHARP & DOHME CORP. | 2008-08-21 | — | — | US | disclosed |
| EP-1656146-A2 | MITOTIC KINESIN INHIBITORS | Merck & Co., Inc. (US) | 2006-05-17 | — | — | EP | disclosed |
| WO-2005018547-A2 | MITOTIC KINESIN INHIBITORS | MERCK & CO., INC. (US) | 2005-03-03 | — | — | WO | disclosed |
| US-20050043357-A1 | Mitotic kinesin inhibitors | MERCK SHARP & DOHME CORP. | 2005-02-24 | — | — | 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-20080199459-A1 | Mitotic Kinesin Inhibitors | KIF5B, KIF2C, KIF18B | CYP2D6 4573/4885EPHX1 3495/4885EPHX2 4073/4885 |
| US-20050043357-A1 | Mitotic kinesin inhibitors | KIF5B, KIF2C, KIF18B | CYP2D6 4573/4885EPHX1 3495/4885EPHX2 4073/4885 |
“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.