Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NPY1R | P25929 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | NPY2R | P49146 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14077115 | 1.00 | HTT (0.44) | HTTMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL4157891 | 0.80 | MEN1 (0.43) | HTTMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL27931200 | 0.79 | MEN1 (0.40) | HTTMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL12601225 | 0.77 | DRD3 (0.35) | DRD3SIGMAR1HTR1A | |
| SCHEMBL16684513 | 0.76 | ALDH1A1 (0.40) | HTTMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL15319634 | 0.75 | HTT (0.35) | HTTALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL17150851 | 0.72 | NPC1 (0.40) | HTTMEN1KMT2ANPC1RAB9A | |
| SCHEMBL19230495 | 0.72 | NPC1 (0.40) | HTTMEN1KMT2ANPC1RAB9A | |
| SCHEMBL21576151 | 0.72 | NPC1 (0.40) | HTTMEN1KMT2ANPC1RAB9A | |
| SCHEMBL434338 | 0.72 | HRH3 (0.49) | — |
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-2023027948-A1 | JAK2 INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2023-03-02 | — | — | WO | disclosed |
| WO-2017133521-A1 | FXR RECEPTOR AGONIST | 山东轩竹医药科技有限公司 | 2017-08-10 | — | — | WO | disclosed |