Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | PARP1 | P09874 | 2/20 | 0.42 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Methyl Carbamate SCHEMBL28017042 | 0.84 | PARP1 (0.55) | SLC6A3NPC1RAB9ASMN1; SMN2KMT2A | |
| Chlorobenzene SCHEMBL27686451 | 0.84 | TSHR (0.52) | TSHRATMSLC6A4SLC6A3CES2 | |
| Chlorobenzene SCHEMBL28284822 | 0.84 | TSHR (0.52) | TSHRATMSLC6A4SLC6A3CES2 | |
| 1,2-Dichlorobenzene SCHEMBL28130363 | 0.84 | TSHR (0.48) | TSHRCES2CES1RAB9ASMN1; SMN2 | |
| Chlorobenzene SCHEMBL27555909 | 0.83 | TSHR (0.58) | TSHRCES2CES1NPC1SMN1; SMN2 | |
| Chlorobenzene SCHEMBL27488158 | 0.83 | TSHR (0.65) | TSHRCES2CES1NPC1RAB9A | |
| Chlorobenzene SCHEMBL9576941 | 0.83 | TSHR (0.65) | TSHRCES2CES1NPC1RAB9A | |
| Chlorobenzene SCHEMBL27927236 | 0.82 | TSHR (0.50) | TSHRATMSLC6A4SLC6A3CES2 | |
| Chlorobenzene SCHEMBL27868866 | 0.82 | TSHR (0.50) | TSHRCES2CES1NPC1RAB9A | |
| Biphenyl SCHEMBL3276083 | 0.81 | TSHR (0.50) | TSHRSLC6A4SLC6A3NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-104640540-B | Enhanced anti-influenza agents coupled with anti-inflammatory activity | 中央研究院 | 2018-10-09 | — | — | CN | disclosed |
| CN-106167468-A | A kind of chloropropane replaces the method that N-Propyl Bromide prepares albendazole | 安徽千和新材料科技发展有限公司 | 2016-11-30 | — | — | CN | disclosed |
| CN-105873910-A | Macrocyclic insulin-degrading enzyme (IDE) inhibitors and uses thereof | 哈佛大学的校长及成员们 | 2016-08-17 | — | — | CN | disclosed |