Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL8674610 | 0.82 | KDM4E (0.46) | KDM4EALDH1A1PKMCYP1A2CYP2D6 | |
| SCHEMBL17065066 | 0.78 | CYP1A2 (0.40) | ALDH1A1PKMCYP1A2CYP2D6HRH3 | |
| SCHEMBL6910904 | 0.77 | CHRNB2 (0.47) | KDM4EALDH1A1PKMCYP1A2CYP2D6 | |
| SCHEMBL6910907 | 0.77 | CHRNB2 (0.47) | KDM4EALDH1A1PKMCYP1A2CYP2D6 | |
| SCHEMBL6909064 | 0.76 | CHRNA7 (0.57) | KDM4EALDH1A1PKMCHRNB2CHRNA4 | |
| SCHEMBL6909069 | 0.76 | CHRNA7 (0.57) | KDM4EALDH1A1PKMCHRNB2CHRNA4 | |
| SCHEMBL6904437 | 0.75 | HRH3 (0.49) | KDM4EALDH1A1CHRNB2CHRNA4CHRNA7 | |
| SCHEMBL6904436 | 0.75 | HRH3 (0.49) | KDM4EALDH1A1CHRNB2CHRNA4CHRNA7 | |
| SCHEMBL7377826 | 0.75 | KDM4E (0.50) | KDM4EALDH1A1PKMCYP1A2CYP2D6 | |
| SCHEMBL10843187 | 0.74 | CHRNA7 (0.52) | CYP1A2CYP2D6CHRNB2CHRNA4CHRNA7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3113772-A1 | HUMAN PLASMA KALLIKREIN INHIBITORS | Biocryst Pharmaceuticals, Inc. (US) | 2017-01-11 | — | — | EP | disclosed |
| WO-2015134998-A1 | HUMAN PLASMA KALLIKREIN INHIBITORS | BIOCRYST PHARMACEUTICALS, INC. (US) | 2015-09-11 | — | — | WO | disclosed |