Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GPR4 | P46093 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14347760 | 0.81 | SMN1; SMN2 (0.51) | SMN1; SMN2KMT2ARAB9ATP53ALDH1A1 | |
| SCHEMBL8350850 | 0.78 | PER2 (0.46) | KMT2ARAB9ATP53ALDH1A1MEN1 | |
| SCHEMBL14347756 | 0.77 | PER2 (0.47) | SMN1; SMN2KMT2ARAB9AALDH1A1MEN1 | |
| SCHEMBL12125492 | 0.76 | USP19 (0.31) | — | |
| Bromide SCHEMBL28429290 | 0.75 | USP19 (0.30) | — | |
| SCHEMBL14347751 | 0.74 | PER2 (0.46) | SMN1; SMN2KMT2ARAB9ATP53ALDH1A1 | |
| SCHEMBL8351476 | 0.74 | KMT2A (0.37) | SMN1; SMN2KMT2ARAB9AADRB1ALDH1A1 | |
| SCHEMBL22248562 | 0.73 | F10 (0.31) | — | |
| SCHEMBL8353184 | 0.70 | SMN1; SMN2 (0.38) | SMN1; SMN2KMT2ARAB9AADRB1TP53 | |
| SCHEMBL3635000 | 0.70 | P2RX7 (0.32) | — |
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 |