Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.46 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1696343 | 0.91 | L3MBTL1 (0.55) | KMT2AL3MBTL1KDM4EMEN1TSHR | |
| SCHEMBL15676780 | 0.88 | SIGMAR1 (0.56) | KMT2AL3MBTL1KDM4EMEN1TSHR | |
| SCHEMBL18780868 | 0.85 | KMT2A (0.55) | KMT2AL3MBTL1KDM4EMEN1TSHR | |
| SCHEMBL13951769 | 0.85 | HSD17B2 (0.56) | KMT2AL3MBTL1KDM4ETSHRHTT | |
| SCHEMBL1690907 | 0.84 | KMT2A (0.51) | KMT2AL3MBTL1KDM4EMEN1TSHR | |
| SCHEMBL27326764 | 0.84 | KMT2A (0.54) | KMT2AL3MBTL1KDM4EMEN1TSHR | |
| SCHEMBL13181080 | 0.83 | ESR1 (0.55) | KMT2AKDM4EMEN1TSHRHTT | |
| SCHEMBL1696607 | 0.82 | PLAU (0.43) | KMT2AL3MBTL1MEN1HTTNPC1 | |
| SCHEMBL10273801 | 0.82 | ITGB1 (0.44) | HTTNPC1RAB9AALDH1A1SIGMAR1 | |
| SCHEMBL9001629 | 0.82 | KMT2A (0.62) | KMT2AL3MBTL1KDM4ETSHRHTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7453002-B2 | thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-11-18 | — | — | US | disclosed |