Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | IDO1 | P14902 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MAOA | P21397 | 2/20 | 0.48 |
| ▸ | MAOB | P27338 | 2/20 | 0.48 |
| ▸ | KDM1A | O60341 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL10203428 | 0.81 | LMNA (0.63) | CYP3A4CYP2D6LMNANPC1RAB9A | |
| SCHEMBL5397874 | 0.78 | CYP2D6 (0.65) | CYP3A4CYP2D6LMNANPC1RAB9A | |
| SCHEMBL21058251 | 0.78 | ATM (0.52) | CYP3A4CYP2D6LMNANPC1RAB9A | |
| SCHEMBL5608113 | 0.78 | SSTR4 (0.44) | CYP3A4CYP2D6LMNAIDO1SSTR4 | |
| Bromide SCHEMBL821754 | 0.76 | SSTR4 (0.43) | CYP2D6LMNANPC1RAB9AALDH1A1 | |
| Iodide SCHEMBL821553 | 0.76 | SSTR4 (0.43) | CYP2D6LMNANPC1RAB9AALDH1A1 | |
| Hydrochloric Acid SCHEMBL822005 | 0.76 | SSTR4 (0.43) | CYP2D6LMNANPC1RAB9ASSTR4 | |
| Fluoride Ion SCHEMBL822160 | 0.76 | SSTR4 (0.43) | CYP2D6LMNANPC1RAB9AALDH1A1 | |
| SCHEMBL451516 | 0.76 | TAAR1 (0.60) | CYP3A4CYP2D6LMNANPC1RAB9A | |
| SCHEMBL21058237 | 0.76 | TAAR1 (0.54) | CYP3A4CYP2D6LMNANPC1RAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114026068-A | EP2 antagonists | 小野药品工业株式会社 | 2022-02-08 | — | — | CN | disclosed |
| CN-102753538-A | Sultam derivatives | HOFFMANN LA ROCHE | 2012-10-24 | — | — | CN | disclosed |
| EP-2064192-A2 | COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS | Infinity Discovery, Inc. (US) | 2009-06-03 | — | — | EP | disclosed |
| WO-2008024337-A2 | COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS | INFINITY DISCOVERY, INC. (US) | 2008-02-28 | — | — | WO | disclosed |