Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | AR | P10275 | 1/20 | 0.53 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.51 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.44 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10669753 | 0.81 | KDM4E (0.53) | KDM4EKMT2AARROCK1ROCK2 | |
| SCHEMBL12490609 | 0.80 | KDM4E (0.54) | KDM4EKMT2AARROCK1ROCK2 | |
| SCHEMBL25934116 | 0.78 | KMT2A (0.43) | KDM4EKMT2ASMN1; SMN2RAB9ANPC1 | |
| SCHEMBL799900 | 0.76 | ALDH1A1 (0.55) | KDM4EKMT2AARSMN1; SMN2RAB9A | |
| SCHEMBL19625332 | 0.73 | RAB9A (0.58) | KDM4EKMT2AARSMN1; SMN2RAB9A | |
| SCHEMBL9571659 | 0.70 | KDM4E (0.59) | KDM4EKMT2AARSMN1; SMN2RAB9A | |
| SCHEMBL2225642 | 0.70 | ALDH1A1 (0.51) | KDM4EKMT2AARSMN1; SMN2RAB9A | |
| SCHEMBL15349255 | 0.70 | HRH1 (0.38) | KDM4EMAPTALDH1A1 | |
| SCHEMBL2228668 | 0.70 | ALDH1A1 (0.49) | KDM4EKMT2AARSMN1; SMN2RAB9A | |
| SCHEMBL68135 | 0.69 | KDM4E (1.00) | KDM4EKMT2AARSMN1; SMN2RAB9A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050176776-A1 | kINESIN SPINDLE PROTEIN INHIBITOR; ANTIPROLIFERATIVE AGENTS; ANTICANCER AGENTS; 4-(2,5-DIFLUORPHENYL)-N-3-FLUOROPYRROLIDIN-3-YL)-2-HYDROXYMETHYL-2-PHENYL-2,5 -DIHYDROXY-1N-PYRROL-1-CARBOXAMIDE | MERCK SHARP & DOHME CORP. | 2005-08-11 | — | — | US | claimed |
| US-7294640-B2 | Mitotic kinesin inhibitors | MERCK & CO., INC. (US) | 2007-11-13 | — | — | US | disclosed |
| US-7294640-B2 | Mitotic kinesin inhibitors | MERCK & CO., INC. (US) | 2007-11-13 | — | — | US | disclosed |
| US-7294640-B2 | Mitotic kinesin inhibitors | MERCK & CO., INC. (US) | 2007-11-13 | — | — | US | disclosed |
| US-20050176776-A1 | kINESIN SPINDLE PROTEIN INHIBITOR; ANTIPROLIFERATIVE AGENTS; ANTICANCER AGENTS; 4-(2,5-DIFLUORPHENYL)-N-3-FLUOROPYRROLIDIN-3-YL)-2-HYDROXYMETHYL-2-PHENYL-2,5 -DIHYDROXY-1N-PYRROL-1-CARBOXAMIDE | MERCK SHARP & DOHME CORP. | 2005-08-11 | — | — | 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-20050176776-A1 | kINESIN SPINDLE PROTEIN INHIBITOR; ANTIPROLIFERATIVE AGENTS; ANTICANCER AGENTS; 4-(2,5-DIFLUORPHENYL)-N-3-FLUOROPYRROLIDIN-3-YL)-2-HYDROXYMETHYL-2-PHENYL-2,5 -DIHYDROXY-1N-PYRROL-1-CARBOXAMIDE | KIF5B, KIF2C, KIFC1 | KDM4E 716/4885KMT2A 1097/4885AR 3720/4885 |
“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.