Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | NAMPT | P43490 | 2/20 | 0.40 |
| ▸ | FAAH | O00519 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | IGF1R | P08069 | 1/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.36 |
| ▸ | KIT | P10721 | 1/20 | 0.36 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1476708 | 0.87 | FFAR1 (0.49) | HRH3CHRNA7CYP3A4NAMPTALDH1A1 | |
| SCHEMBL27699501 | 0.85 | HRH3 (0.58) | HRH3CHRNA7CYP3A4NAMPTFAAH | |
| SCHEMBL1473448 | 0.80 | HRH3 (0.40) | HRH3CHRNA7CYP3A4NAMPTALDH1A1 | |
| Formic Acid SCHEMBL27699508 | 0.78 | CHRNA7 (0.41) | HRH3CHRNA7CYP3A4NAMPTKDM1A | |
| SCHEMBL18923908 | 0.77 | FAAH (0.40) | HRH3CYP3A4NAMPTFAAHALDH1A1 | |
| SCHEMBL12999402 | 0.76 | HTT (0.51) | CYP3A4FAAHALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL18541381 | 0.74 | BCL2 (0.41) | CYP3A4NAMPTFAAHKDM1A | |
| SCHEMBL18898575 | 0.74 | ALDH1A1 (0.67) | CYP3A4FAAHALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL18611059 | 0.74 | ALDH1A1 (0.67) | CYP3A4FAAHALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL23550031 | 0.73 | HRH3 (0.58) | HRH3CHRNA7CYP3A4NAMPTKDM1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017031204-A1 | CYCLOPROPYLDERIVATIVES AND THEIR USE AS KINASE INHIBITORS | Karyopharm Therapeutics Inc. (US) | 2017-02-23 | — | — | WO | disclosed |