Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 2/20 | 0.69 |
| ▸ | LMNA | P02545 | 1/20 | 0.69 |
| ▸ | ESR1 | P03372 | 9/20 | 0.64 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.64 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.64 |
| ▸ | ESRRG | P62508 | 4/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | PSMB1 | P20618 | 2/20 | 0.51 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.51 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.51 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.51 |
| ▸ | EGFR | P00533 | 1/20 | 0.51 |
| ▸ | GBA1 | P04062 | 1/20 | 0.51 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.51 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Methylamine SCHEMBL28401436 | 0.97 | HTR6 (0.66) | HTR6LMNAESR1CYP19A1ESR2 | |
| SCHEMBL17915615 | 0.86 | HTR6 (0.75) | HTR6LMNAESR1CYP19A1ESR2 | |
| SCHEMBL19011568 | 0.86 | HTR6 (0.75) | HTR6LMNAESR1CYP19A1ESR2 | |
| SCHEMBL5738607 | 0.85 | HTR6 (0.65) | HTR6LMNAESR1CYP19A1ESR2 | |
| SCHEMBL5738610 | 0.85 | HTR6 (0.65) | HTR6LMNAESR1CYP19A1ESR2 | |
| SCHEMBL17506016 | 0.84 | LMNA (0.64) | HTR6LMNAESR1CYP19A1ESR2 | |
| SCHEMBL17506015 | 0.84 | LMNA (0.64) | HTR6LMNAESR1CYP19A1ESR2 | |
| SCHEMBL17506017 | 0.84 | LMNA (0.64) | HTR6LMNAESR1CYP19A1ESR2 | |
| SCHEMBL948067 | 0.84 | LMNA (0.58) | HTR6LMNAESR1CYP19A1ESR2 | |
| SCHEMBL948065 | 0.84 | LMNA (0.58) | HTR6LMNAESR1CYP19A1ESR2 |
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-3835285-A1 | METHOD FOR PRODUCING PHENOXYETHANOL DERIVATIVE | Shionogi & Co., Ltd (JP) | 2021-06-16 | — | — | EP | disclosed |
| WO-2009005673-A1 | ANTI-IGF1R | SCHERING CORPORATION (US) | 2009-01-08 | — | — | WO | disclosed |