Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KIF11 | P52732 | 4/20 | 0.46 |
| ▸ | TRPV6 | Q9H1D0 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 3/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.35 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.35 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.35 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6565488 | 0.86 | ALDH1A1 (0.44) | TSHRALDH1A1KIF11POLBTDP1 | |
| SCHEMBL6564279 | 0.86 | ALDH1A1 (0.63) | TSHRALDH1A1KIF11TRPV6POLB | |
| SCHEMBL1539075 | 0.83 | TSHR (0.50) | TSHRALDH1A1KIF11TRPV6CES2 | |
| SCHEMBL10894279 | 0.82 | TSHR (0.44) | TSHRALDH1A1KIF11CES2MGLL | |
| Trifluoromethylbenzene SCHEMBL28876860 | 0.77 | TSHR (0.74) | TSHRALDH1A1KIF11TRPV6POLB | |
| SCHEMBL545083 | 0.75 | TSHR (0.50) | TSHRALDH1A1TDP1 | |
| SCHEMBL30318973 | 0.75 | TSHR (0.50) | TSHRALDH1A1TDP1 | |
| SCHEMBL63469 | 0.75 | ALDH1A1 (0.52) | TSHRALDH1A1KIF11POLBTDP1 | |
| SCHEMBL29441997 | 0.75 | ALDH1A1 (0.52) | TSHRALDH1A1KIF11POLBTDP1 | |
| SCHEMBL9016261 | 0.75 | CYP19A1 (0.46) | TSHRALDH1A1KIF11KCNJ5KCNJ3 |
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-0953557-B1 | Method for producing bis(trifluoromethyl)benzene | CENTRAL GLASS CO LTD (JP) | 2004-03-31 | — | — | EP | claimed |