Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | DUT | P33316 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 2/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4008275 | 1.00 | HDAC1 (0.47) | HDAC1HDAC2HDAC3NCOR2SMN1; SMN2 | |
| SCHEMBL4008271 | 1.00 | HDAC1 (0.47) | HDAC1HDAC2HDAC3NCOR2SMN1; SMN2 | |
| SCHEMBL13315415 | 0.84 | PARP1 (0.34) | HDAC1HDAC2HDAC3NCOR2SMN1; SMN2 | |
| SCHEMBL1928721 | 0.81 | TDP1 (0.51) | HDAC1HDAC2HDAC3SMN1; SMN2KMT2A | |
| SCHEMBL9433444 | 0.75 | L3MBTL1 (0.46) | HDAC1HDAC2HDAC3SMN1; SMN2HTT | |
| SCHEMBL25893279 | 0.74 | TDP1 (0.65) | SMN1; SMN2KMT2A | |
| SCHEMBL21174515 | 0.73 | DUT (0.39) | DUTPPARABACE1MAPT | |
| SCHEMBL4679891 | 0.72 | DUT (0.36) | DUTPPARAMAPT | |
| SCHEMBL19657976 | 0.72 | ALDH1A1 (0.49) | SMN1; SMN2NPSR1MEN1KMT2AAKT1 | |
| SCHEMBL13315403 | 0.71 | DUT (0.38) | HDAC1HDAC2HDAC3SMN1; SMN2DUT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7745639-B2 | Mitotic kinesin inhibitors | MERCK & CO., INC. (US) | 2010-06-29 | — | — | US | disclosed |
| US-7718687-B2 | Dihydropyrrole derivatives; 3-{(2S)-4-(2,5-difluorophenyl)-1-[(dimethylamino)carbonyl]-2,5-dihydro- 1H-pyrrol-2-yl}phenyl dihydrogen phosphate; anticarcinogenic agents; cellular proliferative diseases; specificity; side effect reduction | MERCK SHARP & DOHME CORP., (US) | 2010-05-18 | — | — | US | disclosed |
| US-7625936-B2 | 3,5-Diphenyl-4,5-dihydro-1H-dipyrazole derivatives such as {2-[1-acetyl-3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-yl]ethyl}(dimethyl)silanol that are useful for treating cancer | MERCK & CO. INC. (US) | 2009-12-01 | — | — | US | disclosed |
| US-7553838-B2 | Mitotic kinesin inhibitors | MERCK & CO. INC. (US) | 2009-06-30 | — | — | US | disclosed |
| US-20080194582-A1 | 3,5-Diphenyl-4,5-dihydro-1H-dipyrazole derivatives such as {2-[1-acetyl-3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-yl]ethyl}(dimethyl)silanol that are useful for treating cancer | MERCK SHARP & DOHME CORP. | 2008-08-14 | — | — | US | disclosed |
| US-20080032980-A1 | Mitotic Kinesin Inhibitors | MERCK SHARP & DOHME CORP. | 2008-02-07 | — | — | US | disclosed |
| US-20080027118-A1 | Prodrugs Of Mitotic Kinesin Inhibitors | MERCK SHARP & DOHME CORP. | 2008-01-31 | — | — | 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 (3 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-20080027118-A1 | Prodrugs Of Mitotic Kinesin Inhibitors | KIF5B, KIF2C, KIF23 | HDAC1 156/4885HDAC2 652/4885HDAC3 361/4885 |
| US-20080032980-A1 | Mitotic Kinesin Inhibitors | KIF5B, KIF2C, KIF23 | HDAC1 185/4885HDAC2 652/4885HDAC3 435/4885 |
| US-20080194582-A1 | 3,5-Diphenyl-4,5-dihydro-1H-dipyrazole derivatives such as {2-[1-acetyl-3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-yl]ethyl}(dimethyl)silanol that are useful for treating cancer | KIF5B, KIF23, KIF5C | HDAC1 49/4885HDAC2 128/4885HDAC3 71/4885 |
“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.