Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.49 |
| ▸ | RORC | P51449 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 2/20 | 0.42 |
| ▸ | RCOR1 | Q9UKL0 | 2/20 | 0.42 |
| ▸ | CCR3 | P51677 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.42 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.42 |
| ▸ | ITGAL | P20701 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL321358 | 1.00 | NR1I2 (0.49) | NR1I2RORCSIGMAR1MEN1KMT2A | |
| SCHEMBL10026136 | 1.00 | NR1I2 (0.49) | NR1I2RORCSIGMAR1MEN1KMT2A | |
| SCHEMBL10277293 | 0.81 | NR1I2 (0.48) | NR1I2RORCSIGMAR1CHRM2CHRM3 | |
| SCHEMBL10277297 | 0.81 | NR1I2 (0.48) | NR1I2RORCSIGMAR1CHRM2CHRM3 | |
| SCHEMBL6837076 | 0.79 | TACR3 (0.59) | — | |
| SCHEMBL22983166 | 0.79 | TACR3 (0.59) | — | |
| SCHEMBL1393924 | 0.79 | TACR3 (0.59) | — | |
| SCHEMBL10277142 | 0.78 | NR1I2 (0.46) | NR1I2RORCSIGMAR1DRD2DRD4 | |
| SCHEMBL24245573 | 0.78 | OPRM1 (0.48) | NR1I2RORCSIGMAR1MEN1KMT2A | |
| SCHEMBL19779539 | 0.78 | OPRM1 (0.48) | NR1I2RORCSIGMAR1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021030335-A1 | A STEREOISOMERICALLY PURE NK-3 RECEPTOR ANTAGONIST AND CRYSTALLINE FORMS THEREOF | MILLENDO THERAPEUTICS, INC. (US) | 2021-02-18 | — | — | WO | disclosed |
| WO-2021030335-A1 | A STEREOISOMERICALLY PURE NK-3 RECEPTOR ANTAGONIST AND CRYSTALLINE FORMS THEREOF | MILLENDO THERAPEUTICS, INC. (US) | 2021-02-18 | — | — | WO | disclosed |