Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | CCR2 | P41597 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8439957 | 0.89 | CFTR (0.58) | CFTRALDH1A1ROCK2CNR1HDAC8 | |
| SCHEMBL8908061 | 0.84 | CFTR (0.57) | CFTRALDH1A1ROCK2CNR1HDAC8 | |
| SCHEMBL8487543 | 0.84 | CFTR (0.54) | CFTRALDH1A1ROCK2CNR1HDAC8 | |
| SCHEMBL8440689 | 0.83 | HDAC8 (0.49) | CFTRALDH1A1HDAC8HDAC6CREBBP | |
| SCHEMBL8440897 | 0.81 | CFTR (0.51) | CFTRALDH1A1ROCK2CNR1HDAC8 | |
| SCHEMBL8908297 | 0.81 | CFTR (0.53) | CFTRALDH1A1ROCK2CNR1HDAC8 | |
| SCHEMBL8443456 | 0.78 | HDAC8 (0.52) | CFTRALDH1A1HDAC8HDAC6GRIN1 | |
| SCHEMBL8909337 | 0.78 | F10 (0.51) | — | |
| SCHEMBL8443423 | 0.77 | CFTR (0.52) | CFTRALDH1A1ROCK2HDAC8HDAC6 | |
| SCHEMBL7359317 | 0.76 | KLKB1 (0.51) | ALDH1A1ROCK2CREBBPGRIN1GRIN2B |
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-5612363-A | FACTOR XA INHIBITORS | BERLEX LABORATORIES, INC. (US) | 1997-03-18 | — | — | US | disclosed |