Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.53 |
| ▸ | HTR2A | P28223 | 2/20 | 0.53 |
| ▸ | ESR1 | P03372 | 2/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.52 |
| ▸ | TACR2 | P21452 | 2/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | SHBG | P04278 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.52 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL9308974 | 0.94 | KCNH2 (0.60) | KCNH2HSD17B10TSHRSIGMAR1HTR2A | |
| SCHEMBL28066910 | 0.92 | KCNH2 (0.61) | KCNH2HSD17B10TSHRSIGMAR1HTR2A | |
| Butylbenzyl SCHEMBL28115088 | 0.92 | KCNH2 (0.50) | KCNH2HSD17B10TSHRSIGMAR1ADRA2A | |
| Water SCHEMBL28090810 | 0.92 | KCNH2 (0.69) | KCNH2HSD17B10SIGMAR1HTR2AESR1 | |
| Water SCHEMBL27274399 | 0.92 | KCNH2 (0.69) | KCNH2HSD17B10SIGMAR1HTR2AESR1 | |
| Water SCHEMBL6149754 | 0.92 | KCNH2 (0.69) | KCNH2HSD17B10SIGMAR1HTR2AESR1 | |
| Water SCHEMBL17221084 | 0.92 | KCNH2 (0.69) | KCNH2HSD17B10SIGMAR1HTR2AESR1 | |
| Water SCHEMBL28120606 | 0.92 | KCNH2 (0.69) | KCNH2HSD17B10SIGMAR1HTR2AESR1 | |
| Water SCHEMBL27607985 | 0.92 | KCNH2 (0.69) | KCNH2HSD17B10SIGMAR1HTR2AESR1 | |
| Nitrogen SCHEMBL10820928 | 0.90 | KCNH2 (0.67) | KCNH2HSD17B10SIGMAR1HTR2AESR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103408501-B | Benzylpyrimidine derivative, its preparation method and medicinal use thereof | HEFEI YIGONG MEDICINE CO., LTD. (CN) | 2016-03-09 | — | — | CN | disclosed |
| CN-103408501-A | Benzyl pyrimidine derivatives, and preparation method and medical application thereof | HEFEI YIGONG MEDICINE CO LTD | 2013-11-27 | — | — | CN | disclosed |