Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | CASP1 | P29466 | 1/20 | 0.58 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8351482 | 0.97 | TSHR (0.62) | TSHRCASP1P2RX7LMNAMCHR1 | |
| SCHEMBL8353279 | 0.93 | TSHR (0.54) | TSHRCASP1P2RX7LMNAMCHR1 | |
| SCHEMBL8354195 | 0.86 | MCHR1 (0.49) | TSHRCASP1P2RX7LMNAMCHR1 | |
| SCHEMBL17888281 | 0.85 | MCHR1 (0.65) | TSHRCASP1P2RX7MCHR1 | |
| SCHEMBL14347866 | 0.84 | TSHR (0.43) | TSHRCASP1P2RX7LMNAMCHR1 | |
| SCHEMBL8351040 | 0.84 | P2RX7 (0.55) | TSHRCASP1P2RX7LMNAMCHR1 | |
| SCHEMBL8353957 | 0.83 | SMN1; SMN2 (0.51) | TSHRCASP1P2RX7LMNAMCHR1 | |
| SCHEMBL10576154 | 0.81 | TSHR (0.59) | TSHRCASP1LMNASMN1; SMN2L3MBTL1 | |
| SCHEMBL8351168 | 0.81 | TSHR (0.46) | TSHRCASP1P2RX7LMNAMCHR1 | |
| SCHEMBL3373766 | 0.81 | LMNA (0.68) | TSHRCASP1LMNASMN1; SMN2L3MBTL1 |
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 2 patents. 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 |
| WO-2003099276-A1 | 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-12-04 | — | — | WO | disclosed |