Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 2/20 | 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 | |
|---|---|---|---|---|
| Chlorotriphenylmethane SCHEMBL16781670 | 0.91 | TSHR (0.65) | TSHRCYP1A2CYP2C9CYP2C19KCNN4 | |
| Chlorotriphenylmethane SCHEMBL461 | 0.91 | TSHR (0.65) | TSHRCYP1A2CYP2C9CYP2C19KCNN4 | |
| Chlorotriphenylmethane SCHEMBL113884 | 0.88 | TSHR (0.61) | TSHRCYP1A2CYP2C9CYP2C19KCNN4 | |
| Chlorotriphenylmethane SCHEMBL29446246 | 0.88 | TSHR (0.61) | TSHRCYP1A2CYP2C9CYP2C19KCNN4 | |
| Chlorotriphenylmethane SCHEMBL11237663 | 0.88 | TSHR (0.61) | TSHRCYP1A2CYP2C9CYP2C19KCNN4 | |
| Chlorotriphenylmethane SCHEMBL7246540 | 0.88 | TSHR (0.61) | TSHRCYP1A2CYP2C9CYP2C19KCNN4 | |
| Chlorotriphenylmethane SCHEMBL7567317 | 0.88 | TSHR (0.61) | TSHRCYP1A2CYP2C9CYP2C19KCNN4 | |
| Chlorotriphenylmethane SCHEMBL3343848 | 0.82 | TSHR (0.55) | TSHRCYP1A2CYP2C9KCNN4ALDH1A1 | |
| Methylene Chloride SCHEMBL28935108 | 0.82 | TSHR (0.82) | TSHRCYP1A2CYP2C9CYP2C19KCNN4 | |
| SCHEMBL12305490 | 0.80 | TSHR (0.52) | TSHRCYP1A2CYP2C9KCNN4ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104447899-B | A kind of intermediate of the compound for preparing renin angiotensin aldosterone system double inhibitor | 浙江永太科技股份有限公司 | 2017-01-04 | — | — | CN | disclosed |
| CN-102762553-B | Oxazolidinone compound containing fused bicyclic ring and preparation and application thereof | 山东轩竹医药科技有限公司 | 2016-10-19 | — | — | CN | disclosed |
| CN-104496971-B | A kind of compound as RAAS system doubling inhibitor | 浙江永太科技股份有限公司 | 2016-08-17 | — | — | CN | disclosed |
| CN-105315289-A | Zinc phthalocyanine hydriodate photosensitizer, as well as preparation method and application thereof | UNIV NANJING NORMAL | 2016-02-10 | — | — | CN | disclosed |
| CN-101182322-A | Method for preparing antiviral drug of Entecavir | FUJIAN GUANGSHENG TANG PHARMAC (CN) | 2008-05-21 | — | — | CN | disclosed |
| CN-1067067-C | Heterocyclic tachykinin receptor antagonists | LILLY CO ELI (US) | 2001-06-13 | — | — | CN | disclosed |