Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | UTS2R | Q9UKP6 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15343524 | 0.85 | KMT2A (0.67) | KMT2AMEN1MAPK1TSHRTDP1 | |
| SCHEMBL509012 | 0.84 | TSHR (0.57) | ESR1ESR2KMT2AMEN1MAPK1 | |
| Bromide SCHEMBL7115821 | 0.83 | ESR1 (0.50) | ESR1ESR2KMT2AMEN1MAPK1 | |
| SCHEMBL1810392 | 0.81 | ESR1 (0.59) | ESR1ESR2KMT2AMEN1TSHR | |
| Bromide SCHEMBL6553179 | 0.79 | ESR1 (0.53) | ESR1ESR2KMT2AMEN1MAPK1 | |
| Hydrochloric Acid SCHEMBL6554710 | 0.79 | ESR1 (0.53) | ESR1ESR2KMT2AMEN1MAPK1 | |
| Fluoride Ion SCHEMBL6553165 | 0.79 | ESR1 (0.53) | ESR1ESR2KMT2AMEN1MAPK1 | |
| Bromide SCHEMBL6554342 | 0.78 | ESR1 (0.49) | ESR1ESR2KMT2AMEN1MAPK1 | |
| Hydrochloric Acid SCHEMBL6552774 | 0.78 | ESR1 (0.49) | ESR1ESR2KMT2AMEN1MAPK1 | |
| Fluoride Ion SCHEMBL7108100 | 0.78 | ESR1 (0.49) | ESR1ESR2KMT2AMEN1MAPK1 |
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-3896064-A1 | 4,6-DIAMINO-QUINOLINE-3-CARBONITRILE DERIVATIVES AS CANCER OSAKA THYROID (COT) MODULATORS FOR TREATING CROHN'S DISEASE AND ULCERATIVE COLITIS | Gilead Sciences, Inc. (US) | 2021-10-20 | — | — | EP | disclosed |