Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | JUN | P05412 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | VCP | P55072 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.37 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.37 |
| ▸ | ABAT | P80404 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.37 |
| ▸ | FNTA | P49354 | 1/20 | 0.37 |
| ▸ | FNTB | P49356 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15211511 | 0.80 | CYP3A4 (0.41) | ESR1ALDH1A1HPGDTDP1TSHR | |
| SCHEMBL15211105 | 0.77 | KMT2A (0.37) | ESR1JUNNFKB1VCPALDH1A1 | |
| SCHEMBL15211467 | 0.77 | KMT2A (0.37) | ESR1JUNNFKB1VCPALDH1A1 | |
| SCHEMBL15211106 | 0.77 | KMT2A (0.37) | ESR1JUNNFKB1VCPALDH1A1 | |
| SCHEMBL2025468 | 0.74 | PKM (0.51) | ESR1ALDH1A1HPGDTDP1TSHR | |
| SCHEMBL31190039 | 0.74 | JUN (0.57) | JUNNFKB1VCPALDH1A1AOX1 | |
| SCHEMBL320559 | 0.74 | JUN (0.57) | JUNNFKB1VCPALDH1A1AOX1 | |
| SCHEMBL16693081 | 0.73 | CYP2A6 (0.42) | ALDH1A1AOX1TRIM24HPGDALDH5A1 | |
| SCHEMBL15211611 | 0.72 | CYP3A4 (0.40) | ESR1NFKB1ALDH1A1TSHRKDM4E | |
| SCHEMBL28073642 | 0.72 | ALOX15 (0.40) | ESR1VCPALDH1A1KDM4EMAPT |
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-2838891-A1 | AROMATIC RING COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2015-02-25 | — | — | EP | disclosed |
| WO-2013125732-A1 | AROMATIC RING COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-08-29 | — | — | WO | disclosed |