Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 7/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | F10 | P00742 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8353275 | 0.97 | SLC6A4 (0.49) | SLC6A4SLC6A3SLC6A2KDM4EHPGD | |
| SCHEMBL8354044 | 0.95 | SLC6A4 (0.51) | SLC6A4SLC6A3SLC6A2KDM4EHPGD | |
| SCHEMBL8353273 | 0.93 | SLC6A4 (0.51) | SLC6A4SLC6A3SLC6A2KDM4EHPGD | |
| SCHEMBL8353668 | 0.92 | SLC6A4 (0.51) | SLC6A4SLC6A3SLC6A2KDM4EHPGD | |
| SCHEMBL8350796 | 0.90 | SLC6A4 (0.60) | SLC6A4SLC6A3SLC6A2KDM4ESMN1; SMN2 | |
| SCHEMBL8353178 | 0.77 | KDM4E (0.42) | SLC6A4SLC6A3SLC6A2KDM4ESMN1; SMN2 | |
| SCHEMBL8353023 | 0.74 | SLC6A4 (0.58) | SLC6A4SLC6A3SLC6A2 | |
| SCHEMBL8353652 | 0.74 | KDM4E (0.43) | SLC6A4SLC6A3SLC6A2KDM4EHPGD | |
| SCHEMBL14347879 | 0.74 | SLC6A4 (0.43) | SLC6A4SLC6A3SLC6A2KDM4ESMN1; SMN2 | |
| SCHEMBL10840847 | 0.73 | LMNA (0.63) | SLC6A4SLC6A3SLC6A2KDM4ESMN1; SMN2 |
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 |