Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 9/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 5/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 5/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 5/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 5/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 5/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | EBP | Q15125 | 1/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24250350 | 0.77 | ESR2 (0.50) | ESR2ESR1KMT2ASMN1; SMN2SIGMAR1 | |
| SCHEMBL23964790 | 0.75 | SIGMAR1 (0.49) | ESR2ESR1KMT2ASIGMAR1GRIN2D | |
| SCHEMBL20445293 | 0.75 | GAA (0.46) | KMT2ASMN1; SMN2MEN1MAPTALDH1A1 | |
| SCHEMBL20445294 | 0.74 | SMN1; SMN2 (0.50) | ESR2ESR1KMT2ASMN1; SMN2SIGMAR1 | |
| SCHEMBL20445329 | 0.73 | KMT2A (0.51) | KMT2ASMN1; SMN2MEN1ALOX15CYP3A4 | |
| SCHEMBL20445364 | 0.72 | ALDH1A1 (0.43) | KMT2ASMN1; SMN2SIGMAR1TSHRLMNA | |
| SCHEMBL20445327 | 0.72 | F2R (0.44) | ESR2ESR1KMT2ASMN1; SMN2SIGMAR1 | |
| SCHEMBL9369256 | 0.71 | SMN1; SMN2 (0.54) | ESR2ESR1KMT2ASMN1; SMN2SIGMAR1 | |
| SCHEMBL9369251 | 0.71 | SMN1; SMN2 (0.54) | ESR2ESR1KMT2ASMN1; SMN2SIGMAR1 | |
| SCHEMBL20662962 | 0.69 | KMT2A (0.45) | ESR2ESR1KMT2ASMN1; SMN2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020043880-A1 | HETEROCYCLIC COMPOUNDS AS AHR MODULATORS | JAGUAHR THERAPEUTICS PTE LTD (SG) | 2020-03-05 | — | — | WO | disclosed |