Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 8/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 5/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.37 |
| ▸ | RXRA | P19793 | 2/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | HTRA1 | Q92743 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4068806 | 0.85 | KIF11 (0.36) | KIF11 | |
| SCHEMBL16386337 | 0.84 | USP30 (0.39) | RORCUSP30NR1H2GPR119MEN1 | |
| SCHEMBL19078451 | 0.81 | USP30 (0.38) | USP30NR1H2MEN1KMT2A | |
| SCHEMBL16339903 | 0.80 | USP30 (0.40) | USP30NR1H2NR1H3 | |
| SCHEMBL16339902 | 0.80 | USP30 (0.40) | USP30NR1H2NR1H3 | |
| SCHEMBL28648680 | 0.80 | USP30 (0.40) | USP30NR1H2NR1H3 | |
| SCHEMBL29035344 | 0.78 | SMYD2 (0.35) | RORCABCB1USP30GPR119MEN1 | |
| SCHEMBL30301912 | 0.78 | SMYD2 (0.35) | RORCABCB1USP30GPR119MEN1 | |
| SCHEMBL29524125 | 0.78 | SMYD2 (0.35) | RORCABCB1USP30GPR119MEN1 | |
| SCHEMBL14367219 | 0.77 | RORC (0.42) | RORCABCB1NR1H2NR1H3RXRA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1515724-B1 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2009-10-21 | — | — | EP | disclosed |
| US-7348440-B2 | Kinesin spindle protein (KSP) inhibitors, e.g., 4-(2,5-Difluorophenyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-2-hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1N-pyrrole-1-carboxamide, and a carrier; antiproliferative and -carcinogenic agents; side effects reduction; used with an estrogen receptor modulator | MERCK & CO., INC. (US) | 2008-03-25 | — | — | US | disclosed |
| US-7348440-B2 | Kinesin spindle protein (KSP) inhibitors, e.g., 4-(2,5-Difluorophenyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-2-hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1N-pyrrole-1-carboxamide, and a carrier; antiproliferative and -carcinogenic agents; side effects reduction; used with an estrogen receptor modulator | MERCK & CO., INC. (US) | 2008-03-25 | — | — | US | disclosed |
| US-7329762-B2 | Prodrugs of mitotic kinesin inhibitors | MERCK & CO., INC. (US) | 2008-02-12 | — | — | US | disclosed |
| US-7301028-B2 | Mitotic kinesin inhibitors | MERCK & CO., INC. (US) | 2007-11-27 | — | — | US | disclosed |