Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | CFTR | P13569 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12487245 | 0.87 | ELOVL1 (0.55) | RAB9AKDM4ESMN1; SMN2LMNAELOVL1 | |
| SCHEMBL5645955 | 0.86 | RAB9A (0.54) | RAB9AKDM4ESMN1; SMN2LMNAELOVL1 | |
| SCHEMBL5643715 | 0.86 | AR (0.54) | RAB9AKDM4ESMN1; SMN2LMNAELOVL1 | |
| SCHEMBL5646704 | 0.85 | ROCK1 (0.45) | RAB9AKDM4ESMN1; SMN2LMNAESR1 | |
| SCHEMBL5643977 | 0.82 | GAA (0.47) | KDM4ESMN1; SMN2ELOVL1CYP19A1KMT2A | |
| SCHEMBL1919031 | 0.79 | HDAC1 (0.51) | KDM4ESMN1; SMN2LMNAELOVL1ROCK2 | |
| SCHEMBL14367714 | 0.79 | ALDH1A1 (0.50) | RAB9AKDM4ESMN1; SMN2LMNAELOVL1 | |
| SCHEMBL9910030 | 0.77 | MAPT (0.49) | RAB9AKDM4ESMN1; SMN2ELOVL1ROCK2 | |
| SCHEMBL5645847 | 0.77 | RAB9A (0.52) | RAB9AKDM4ESMN1; SMN2LMNAELOVL1 | |
| SCHEMBL5645540 | 0.74 | KDM4E (0.43) | RAB9AKDM4ESMN1; SMN2LMNAELOVL1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7294640-B2 | Mitotic kinesin inhibitors | MERCK & CO., INC. (US) | 2007-11-13 | — | — | US | claimed |
| 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 | RAB9A 2496/4885KDM4E 716/4885SMN1; SMN2 1088/4885 |
“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.