Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SCD | O00767 | 1/20 | 0.33 |
| ▸ | CFB | P00751 | 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 | |
|---|---|---|---|---|
| SCHEMBL14065397 | 0.73 | CHRNB2 (0.44) | RIPK1KMT2AMEN1POLBCHRNB2 | |
| SCHEMBL13987859 | 0.72 | RIPK1 (0.35) | RIPK1KMT2AMEN1POLBMAPK1 | |
| SCHEMBL14277362 | 0.71 | RIPK1 (0.36) | RIPK1KMT2AALDH1A1RAB9A | |
| SCHEMBL5147205 | 0.71 | RIPK1 (0.55) | RIPK1KMT2AMEN1POLBCHRNB2 | |
| SCHEMBL22921054 | 0.71 | RIPK1 (0.55) | RIPK1KMT2AMEN1POLBCHRNB2 | |
| SCHEMBL24443531 | 0.71 | RIPK1 (0.48) | RIPK1KMT2AMEN1POLBCHRNB2 | |
| SCHEMBL17414357 | 0.71 | CHRNB2 (0.56) | RIPK1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL17414358 | 0.70 | CHRNB2 (0.50) | RIPK1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL24015598 | 0.70 | RIPK1 (0.50) | RIPK1KMT2AMEN1KDM4EL3MBTL1 | |
| SCHEMBL13661941 | 0.70 | TDP1 (0.37) | L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-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 |