Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | BRAF | P15056 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | PTGER4 | P35408 | 6/20 | 0.47 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.44 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.44 |
| ▸ | CTSC | P53634 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28090121 | 1.00 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP2C9TSHRBRAF | |
| Hydrochloric Acid SCHEMBL28080635 | 0.95 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9TSHRBRAF | |
| SCHEMBL14555954 | 0.88 | CYP3A4 (0.50) | CYP3A4CYP2D6CYP2C9TSHRBRAF | |
| SCHEMBL28090244 | 0.88 | CYP3A4 (0.50) | CYP3A4CYP2D6CYP2C9TSHRBRAF | |
| SCHEMBL14556022 | 0.88 | CYP3A4 (0.50) | CYP3A4CYP2D6CYP2C9TSHRBRAF | |
| Hydrochloric Acid SCHEMBL28090401 | 0.86 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP2C9TSHRBRAF | |
| Hydrochloric Acid SCHEMBL15400774 | 0.86 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP2C9TSHRBRAF | |
| SCHEMBL19390132 | 0.86 | BRAF (0.48) | CYP3A4CYP2D6CYP2C9TSHRBRAF | |
| SCHEMBL20811277 | 0.86 | GAA (0.63) | CYP3A4CYP2D6CYP2C9TSHRBRAF | |
| SCHEMBL20811275 | 0.86 | GAA (0.63) | CYP3A4CYP2D6CYP2C9TSHRBRAF |
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 |
|---|---|---|---|---|---|---|---|
| CN-104411684-B | Phenoxyethyl piperidine compounds | 伊莱利利公司 | 2016-08-24 | — | — | CN | disclosed |