Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.40 |
| ▸ | KCNJ11 | Q14654 | 5/20 | 0.39 |
| ▸ | ABCC9 | O60706 | 2/20 | 0.39 |
| ▸ | ABCC8 | Q09428 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5249435 | 0.79 | TSHR (0.54) | CYP2A6ALDH1A1HSD17B10KDM4EMEN1 | |
| SCHEMBL26522403 | 0.79 | CYP2A6 (0.54) | CYP2A6ALDH1A1HSD17B10KDM4EMEN1 | |
| SCHEMBL2513921 | 0.77 | HSD17B10 (0.46) | CYP2A6ALDH1A1HSD17B10KDM4EMEN1 | |
| SCHEMBL1538755 | 0.76 | HSD17B10 (0.42) | CYP2A6ALDH1A1HSD17B10KDM4EMEN1 | |
| SCHEMBL3670120 | 0.76 | CYP2A6 (0.50) | CYP2A6ALDH1A1HSD17B10KDM4EMEN1 | |
| SCHEMBL17385581 | 0.75 | HSD17B10 (0.44) | CYP2A6ALDH1A1HSD17B10KDM4EMEN1 | |
| SCHEMBL1644210 | 0.75 | HSD17B10 (0.44) | CYP2A6ALDH1A1HSD17B10KDM4EMEN1 | |
| SCHEMBL7304753 | 0.75 | HSD17B10 (0.59) | CYP2A6ALDH1A1HSD17B10KDM4EMEN1 | |
| SCHEMBL1645664 | 0.75 | ALDH1A1 (0.44) | CYP2A6ALDH1A1HSD17B10KDM4EMEN1 | |
| SCHEMBL4076480 | 0.75 | HSD17B10 (0.68) | CYP2A6ALDH1A1HSD17B10KDM4EMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5283378-A | Process for the dechlorination and/or debromination of fluorine-and chlorine- and/or bromine-containing aromatic compounds | BAYER AKTIENGESELLSCHAFT (DE) | 1994-02-01 | — | — | US | disclosed |
| EP-0023584-B1 | PROCESS FOR THE PREPARATION OF TRIFLUOROMETHYL NAPHTHALENES | BAYER AG (DE) | 1983-01-26 | — | — | EP | disclosed |
| US-4331613-A | Process for the preparation of trifluoromethylnaphthalenes | BAYER AKTIENGESELLSCHAFT (DE) | 1982-05-25 | — | — | US | disclosed |
| EP-0023584-A1 | Process for the preparation of trifluoromethyl naphthalenes | BAYER AG (DE) | 1981-02-11 | — | — | EP | disclosed |