Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.44 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
| ▸ | HNF4A | P41235 | 2/20 | 0.42 |
| ▸ | ABCC8 | Q09428 | 3/20 | 0.41 |
| ▸ | KCNJ11 | Q14654 | 3/20 | 0.41 |
| ▸ | ABCC9 | O60706 | 2/20 | 0.41 |
| ▸ | KCNJ8 | Q15842 | 2/20 | 0.41 |
| ▸ | S100A4 | P26447 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL12355066 | 0.83 | TSHR (0.62) | TSHRCYP3A4ALDH1A1NCEH1HPRT1 | |
| SCHEMBL11742334 | 0.78 | HASPIN (0.44) | TSHRALDH1A1ABCC8KCNJ11MEN1 | |
| SCHEMBL3071816 | 0.77 | TSHR (0.62) | TSHRCYP3A4ALDH1A1NCEH1HPRT1 | |
| SCHEMBL7936527 | 0.77 | TSHR (0.62) | TSHRCYP3A4ALDH1A1NCEH1HPRT1 | |
| SCHEMBL1995800 | 0.75 | TDP1 (0.46) | TSHRCYP3A4ALDH1A1ABCC8KCNJ11 | |
| SCHEMBL8856476 | 0.74 | POLB (0.50) | TSHRCYP3A4ALDH1A1HSP90AA1MEN1 | |
| SCHEMBL187452 | 0.74 | TSHR (0.65) | TSHRCYP3A4ALDH1A1NCEH1HPRT1 | |
| SCHEMBL15617271 | 0.73 | TSHR (0.62) | TSHRCYP3A4ALDH1A1NCEH1HPRT1 | |
| SCHEMBL767775 | 0.73 | TSHR (0.62) | TSHRCYP3A4ALDH1A1NCEH1HPRT1 | |
| SCHEMBL3699674 | 0.73 | TSHR (0.62) | TSHRCYP3A4ALDH1A1NCEH1HPRT1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102395577-B | Diazepinedione derivative | NIPPON CHEMIPHAR CO | 2014-04-23 | — | — | CN | disclosed |
| CN-102395577-A | Diazepinedione derivative | NIPPON CHEMIPHAR CO | 2012-03-28 | — | — | CN | 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 |