Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.36 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.36 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.36 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Chlorobenzene SCHEMBL28346922 | 0.91 | TSHR (0.73) | TSHRCYP1A2RAB9ANPC1TP53 | |
| Chlorobenzene SCHEMBL14334753 | 0.91 | TSHR (0.73) | TSHRCYP1A2RAB9ANPC1TP53 | |
| Chlorobenzene SCHEMBL9893606 | 0.88 | TSHR (0.69) | TSHRCYP1A2RAB9ANPC1TP53 | |
| Nitrogen SCHEMBL1855525 | 0.81 | TSHR (0.44) | TSHRRAB9ANPC1TP53NFKB1 | |
| 1,2-Dichlorobenzene SCHEMBL2778264 | 0.80 | TSHR (0.59) | TSHRCYP1A2RAB9ANPC1TP53 | |
| Biphenyl SCHEMBL28211636 | 0.79 | ALDH1A1 (0.60) | CYP1A2RAB9ANPC1NFKB1NFKB2 | |
| Chlorobenzene SCHEMBL6364167 | 0.78 | — | — | |
| SCHEMBL24715429 | 0.78 | TSHR (1.00) | TSHRCYP1A2LMNACYP2A6KDM4E | |
| Chlorobenzene SCHEMBL2044 | 0.78 | — | — | |
| Chlorobenzene SCHEMBL11220629 | 0.78 | TSHR (1.00) | TSHRCYP1A2LMNACYP2A6KDM4E |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113121318-B | Biheteroaromatic hydrocarbon compound and preparation method thereof | 浙江工业大学 | 2022-04-26 | — | — | CN | claimed |
| CN-113121318-A | Biheteroaromatic hydrocarbon compound and preparation method thereof | 浙江工业大学 | 2021-07-16 | — | — | CN | claimed |
| CN-113121318-B | Biheteroaromatic hydrocarbon compound and preparation method thereof | 浙江工业大学 | 2022-04-26 | — | — | CN | disclosed |
| CN-113121318-A | Biheteroaromatic hydrocarbon compound and preparation method thereof | 浙江工业大学 | 2021-07-16 | — | — | CN | disclosed |
| CN-110563620-B | Preparation method of aromatic thioether compound | 江南大学 | 2021-06-25 | — | — | CN | disclosed |
| CN-110563620-A | Preparation method of aromatic thioether compound | 江南大学 | 2019-12-13 | — | — | CN | disclosed |
| CN-109535046-A | A kind of preparation method of sulfoxide compound | 江南大学 | 2019-03-29 | — | — | CN | disclosed |
| CN-106928091-B | Fluorochemical and its synthetic method | 南开大学 | 2018-12-04 | — | — | CN | disclosed |
| CN-106928091-A | Fluorochemical and its synthetic method | 南开大学 | 2017-07-07 | — | — | CN | disclosed |
| US-4530982-A | Polyolefins | PARLMAN ROBERT M | 1985-07-23 | — | — | US | disclosed |