Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | ADH1B | P00325 | 3/20 | 0.32 |
| ▸ | ADH1C | P00326 | 3/20 | 0.32 |
| ▸ | ADH1A | P07327 | 3/20 | 0.32 |
| ▸ | ADH7 | P40394 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ADH4 | P08319 | 2/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.30 |
| ▸ | PRKCG | P05129 | 1/20 | 0.30 |
| ▸ | PRKCB | P05771 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21042237 | 0.83 | TSHR (0.34) | TSHRADH1BADH1CADH1AADH7 | |
| SCHEMBL21154742 | 0.80 | LMNA (0.38) | CYP3A4MEN1ALOX15KMT2ALMNA | |
| SCHEMBL21501938 | 0.78 | MEN1 (0.33) | CYP3A4MEN1ALOX15KMT2ALMNA | |
| SCHEMBL23221885 | 0.77 | — | — | |
| SCHEMBL25159188 | 0.76 | ALDH1A1 (0.45) | TSHRCYP3A4MEN1KMT2AALDH1A1 | |
| SCHEMBL4317793 | 0.75 | TSHR (0.46) | ACE2TSHRADH1BADH1CADH1A | |
| SCHEMBL1485618 | 0.74 | — | — | |
| SCHEMBL56652 | 0.74 | LMNA (0.50) | ACE2TSHRCYP3A4ALDH1A1LMNA | |
| SCHEMBL25720216 | 0.73 | ADH1B (0.41) | ACE2TSHRADH1BADH1CADH1A | |
| SCHEMBL7026506 | 0.73 | EPHX1 (0.46) | ACE2TSHRCYP3A4EPHX1ALDH1A1 |
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-3356345-B1 | HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS | MAX PLANCK GESELLSCHAFT (DE) | 2023-11-08 | — | — | EP | disclosed |
| EP-3092229-B1 | PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2018-03-28 | — | — | EP | disclosed |