Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGER4 | P35408 | 1/20 | 0.50 |
| ▸ | EP300 | Q09472 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CASP6 | P55212 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA6 | P23280 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | TPMT | P51580 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SCN1A | P35498 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7611997 | 0.87 | CYP1A2 (0.48) | PTGER4TSHRCA12CA1CA2 | |
| SCHEMBL979369 | 0.83 | POLB (0.46) | PTGER4POLBCASP6TSHRCA12 | |
| SCHEMBL1345863 | 0.82 | MAPT (0.51) | PTGER4TSHRCA12CA1CA2 | |
| SCHEMBL1436418 | 0.82 | POLB (0.64) | POLBCASP6TSHRCA12CA1 | |
| SCHEMBL5925659 | 0.81 | TSHR (0.62) | TSHRCYP1A2CYP2D6SLC6A2SCN1A | |
| SCHEMBL8085032 | 0.81 | ALDH1A1 (0.62) | TSHRCYP1A2CYP2D6SLC6A2SCN1A | |
| SCHEMBL881352 | 0.80 | ALDH1A1 (0.52) | PTGER4POLBCASP6TSHRCA12 | |
| SCHEMBL25375627 | 0.80 | EP300 (0.45) | PTGER4EP300POLBCASP6TSHR | |
| SCHEMBL25377590 | 0.79 | TSHR (0.47) | EP300POLBCASP6TSHRCA12 | |
| SCHEMBL25376165 | 0.79 | PARP1 (0.49) | EP300POLBCASP6TSHRCA12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1124788-A4 | BIS(HALOETHYL)AMINOBENZENE DERIVATIVES | SHIONOGI BIORES CORP (US) | 2002-11-06 | — | — | EP | disclosed |
| EP-1124788-A2 | BIS(HALOETHYL)AMINOBENZENE DERIVATIVES | Shionogi Bioresearch Corporation (US) | 2001-08-22 | — | — | EP | disclosed |
| WO-2000024361-A2 | BIS(HALOETHYL)AMINOBENZENE DERIVATIVES | SHIONOGI BIORESEARCH CORP. (US) | 2000-05-04 | — | — | WO | disclosed |