Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 4/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.58 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.58 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | FPR2 | P25090 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8351474 | 0.97 | SLC6A2 (0.62) | SLC6A2SLC6A4SLC6A3POLBHSD11B1 | |
| SCHEMBL12386 | 0.94 | SLC6A2 (0.54) | SLC6A2SLC6A4SLC6A3POLBHSD11B1 | |
| SCHEMBL8353033 | 0.87 | SLC6A2 (0.54) | SLC6A2SLC6A4SLC6A3HSD11B1MEN1 | |
| SCHEMBL8355835 | 0.85 | POLB (0.45) | SLC6A2SLC6A4SLC6A3POLBRAB9A | |
| SCHEMBL8351046 | 0.83 | SLC6A2 (0.58) | SLC6A2SLC6A4SLC6A3HSD11B1MEN1 | |
| SCHEMBL8351497 | 0.82 | SLC6A2 (0.46) | SLC6A2SLC6A4SLC6A3POLBRAB9A | |
| SCHEMBL8352677 | 0.82 | SLC6A2 (0.51) | SLC6A2SLC6A4SLC6A3HSD11B1ALDH1A1 | |
| SCHEMBL8352799 | 0.78 | POLB (0.47) | POLBRAB9ASMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL10640 | 0.78 | SLC6A2 (0.54) | SLC6A2SLC6A4SLC6A3HSD11B1FPR2 | |
| SCHEMBL17080540 | 0.78 | SLC6A2 (0.54) | SLC6A2SLC6A4SLC6A3HSD11B1NPC1 |
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 |