Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.54 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.54 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 4/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | OXER1 | Q8TDS5 | 1/20 | 0.47 |
| ▸ | CTSV | O60911 | 2/20 | 0.46 |
| ▸ | CTSL | P07711 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 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 | |
|---|---|---|---|---|
| SCHEMBL19734471 | 0.95 | CHRNB2 (0.55) | CHRNB2CHRNA7CHRNA4KDM4EALDH1A1 | |
| SCHEMBL5409935 | 0.89 | CHRNB2 (0.60) | CHRNB2CHRNA7CHRNA4KDM4EALDH1A1 | |
| SCHEMBL31091563 | 0.88 | CHRNB2 (0.59) | CHRNB2CHRNA7CHRNA4KDM4EALDH1A1 | |
| SCHEMBL28674730 | 0.88 | CHRNB2 (0.59) | CHRNB2CHRNA7CHRNA4KDM4EALDH1A1 | |
| SCHEMBL7089878 | 0.84 | CHRNB2 (0.55) | CHRNB2CHRNA7CHRNA4KDM4EALDH1A1 | |
| SCHEMBL27361702 | 0.83 | CHRNB2 (0.49) | CHRNB2CHRNA7CHRNA4KDM4EALDH1A1 | |
| SCHEMBL5456514 | 0.82 | ALDH1A1 (0.54) | CHRNB2CHRNA7CHRNA4KDM4EALDH1A1 | |
| SCHEMBL11415261 | 0.81 | KDM4E (0.56) | CHRNB2CHRNA7CHRNA4KDM4EALDH1A1 | |
| SCHEMBL28987798 | 0.81 | CHRNB2 (0.58) | CHRNB2CHRNA7CHRNA4KDM4EALDH1A1 | |
| SCHEMBL29072448 | 0.79 | OXER1 (0.54) | CHRNB2CHRNA7CHRNA4KDM4EALDH1A1 |
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-3472162-B1 | HETEROARYL ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2021-11-17 | — | — | EP | disclosed |
| WO-2017216280-A1 | TETRAHYDRO-PYRIDO[3,4-b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2017-12-21 | — | — | WO | disclosed |