Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | SCN1A | P35498 | 1/20 | 0.39 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.39 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24317225 | 0.91 | CHRNB2 (0.36) | ALDH1A1TSHRSIGMAR1CHRNB2CHRNA4 | |
| SCHEMBL17748985 | 0.80 | CHRNB2 (0.46) | ALDH1A1TSHRSIGMAR1CHRNB2CHRNA4 | |
| SCHEMBL6001031 | 0.78 | HTT (0.55) | ALDH1A1TSHRMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL3532080 | 0.78 | HTT (0.55) | ALDH1A1TSHRMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL3532081 | 0.78 | HTT (0.55) | ALDH1A1TSHRMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL5051431 | 0.77 | ALDH1A1 (0.53) | ALDH1A1TSHRMEN1KMT2APOLB | |
| SCHEMBL5051427 | 0.77 | ALDH1A1 (0.53) | ALDH1A1TSHRMEN1KMT2APOLB | |
| SCHEMBL28175935 | 0.76 | SIGMAR1 (0.44) | ALDH1A1TSHRSIGMAR1CHRNB2CHRNA4 | |
| SCHEMBL14197875 | 0.76 | CHRNB2 (0.43) | ALDH1A1TSHRSIGMAR1CHRNB2CHRNA4 | |
| SCHEMBL24106055 | 0.73 | EPHX1 (0.51) | ALDH1A1MEN1KMT2ASMN1; SMN2TAS1R3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3215509-B1 | SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS | LYSOSOMAL THERAPEUTICS INC (US) | 2020-02-26 | — | — | EP | disclosed |