Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | GBA1 | P04062 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MITF | O75030 | 1/20 | 0.32 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL14490656 | 1.00 | SIGMAR1 (0.46) | SIGMAR1CHRNB2CHRNA4CHRNA7CYP19A1 | |
| SCHEMBL13291916 | 0.86 | SIGMAR1 (0.46) | SIGMAR1CHRNB2CHRNA4CHRNA7CYP19A1 | |
| SCHEMBL24065105 | 0.77 | SIGMAR1 (0.46) | SIGMAR1CHRNB2CHRNA4CHRNA7CYP19A1 | |
| SCHEMBL18183841 | 0.77 | SIGMAR1 (0.46) | SIGMAR1CHRNB2CHRNA4CHRNA7CYP19A1 | |
| SCHEMBL14490395 | 0.77 | SIGMAR1 (0.33) | SIGMAR1CHRNB2CHRNA4 | |
| SCHEMBL14490535 | 0.77 | SIGMAR1 (0.33) | SIGMAR1CHRNB2CHRNA4 | |
| SCHEMBL14490471 | 0.77 | SIGMAR1 (0.33) | SIGMAR1CHRNB2CHRNA4 | |
| SCHEMBL14490418 | 0.77 | SIGMAR1 (0.38) | SIGMAR1CHRNB2CHRNA4CHRNA7CYP19A1 | |
| SCHEMBL5021324 | 0.77 | SIGMAR1 (0.42) | SIGMAR1CHRNB2CHRNA4CHRNA7CYP19A1 | |
| SCHEMBL14490420 | 0.77 | CHRNB2 (0.41) | SIGMAR1CHRNB2CHRNA4CHRNA7CYP19A1 |
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-7312214-B2 | 1, 1-disubstituted cycloalkyl derivatives as factor Xa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-12-25 | — | — | US | disclosed |