Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.58 |
| ▸ | BCHE | P06276 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.54 |
| ▸ | EGFR | P00533 | 1/20 | 0.53 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | POLB | P06746 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.50 |
| ▸ | APEX1 | P27695 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.50 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.50 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7669392 | 1.00 | ACHE (0.58) | ACHEBCHEKMT2APAX8EGFR | |
| SCHEMBL9820117 | 0.90 | ALDH1A1 (0.59) | KMT2AALDH1A1POLBMAPTCYP3A4 | |
| SCHEMBL28108051 | 0.90 | MLNR (0.53) | ACHEBCHEEGFRERBB2POLB | |
| SCHEMBL18531405 | 0.83 | ALDH1A1 (0.52) | KMT2AALDH1A1POLBMAPTCYP3A4 | |
| SCHEMBL26253885 | 0.83 | MAPT (0.55) | KMT2AALDH1A1POLBMAPTCYP3A4 | |
| SCHEMBL11102761 | 0.82 | KMT2A (0.66) | ACHEBCHEKMT2APAX8EGFR | |
| SCHEMBL28824430 | 0.81 | BCHE (0.58) | ACHEBCHEKMT2AEGFRERBB2 | |
| SCHEMBL4772848 | 0.81 | PSEN1 (0.63) | KMT2AEGFRERBB2ALDH1A1POLB | |
| SCHEMBL22662755 | 0.81 | POLB (0.56) | KMT2AEGFRERBB2ALDH1A1POLB | |
| SCHEMBL29639279 | 0.81 | CA2 (0.67) | ALDH1A1MAPTCYP3A4CYP2C9CYP2C19 |
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-3092229-B1 | PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2018-03-28 | — | — | EP | disclosed |