Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | GRB2 | P62993 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 2/20 | 0.33 |
| ▸ | ACACB | O00763 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.30 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL21075947 | 0.84 | TAAR1 (0.45) | NPC1RAB9AALDH1A1TAAR1 | |
| SCHEMBL18856419 | 0.80 | TP53 (0.35) | TP53TSHRGRB2MMP13ACACB | |
| SCHEMBL18856426 | 0.73 | TRPA1 (0.45) | ESR1ESR2TAAR1 | |
| SCHEMBL12299036 | 0.71 | TSHR (0.40) | TSHRALDH1A1ESR1ESR2NR1H2 | |
| SCHEMBL22059353 | 0.70 | TSHR (0.39) | TP53TSHRGRB2ACACBALDH1A1 | |
| SCHEMBL1061707 | 0.70 | EPHX1 (0.48) | TAAR1SLC6A4 | |
| SCHEMBL11932056 | 0.70 | TP53 (0.42) | TP53TSHRNPC1RAB9AALDH1A1 | |
| SCHEMBL11932058 | 0.70 | TAAR1 (0.37) | TP53TSHRPTPN1ALDH1A1ESR1 | |
| SCHEMBL21076021 | 0.69 | HTR2A (0.60) | TP53TSHRALDH1A1TAAR1SLC6A4 | |
| SCHEMBL19143516 | 0.69 | GRB2 (0.55) | GRB2ACACBPTPN1ESR1ESR2 |
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-3057951-B1 | METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T | JANSSEN PHARMACEUTICA NV (BE) | 2019-11-20 | — | — | EP | disclosed |