Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | CA5A | P35218 | 1/20 | 0.51 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | MMP8 | P22894 | 1/20 | 0.47 |
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29899862 | 0.90 | TSHR (0.70) | TSHRLMNAKMT2AGAAHTT | |
| SCHEMBL85551 | 0.90 | TSHR (0.70) | TSHRLMNAKMT2AGAAHTT | |
| SCHEMBL25435523 | 0.90 | TSHR (0.70) | TSHRLMNAKMT2AGAAHTT | |
| SCHEMBL19025580 | 0.88 | TSHR (0.67) | TSHRLMNAKMT2AGAAHTT | |
| SCHEMBL27950091 | 0.88 | TSHR (0.67) | TSHRLMNAKMT2AGAAHTT | |
| Fluoride SCHEMBL6141214 | 0.88 | TSHR (0.67) | TSHRLMNAKMT2AGAAHTT | |
| Bromide SCHEMBL4031266 | 0.88 | TSHR (0.67) | TSHRLMNAKMT2AGAAHTT | |
| Ammonia Solution, Strong SCHEMBL27659899 | 0.88 | TSHR (0.67) | TSHRLMNAKMT2AGAAHTT | |
| Ethane SCHEMBL991925 | 0.86 | TSHR (0.64) | TSHRLMNAKMT2AGAAHTT | |
| Formaldehyde SCHEMBL27686649 | 0.86 | TSHR (0.64) | TSHRLMNAKMT2AGAAHTT |
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-109516987-A | A kind of AVM hereinafter Batan centre preparation | 江西富祥药业股份有限公司 | 2019-03-26 | — | — | CN | claimed |
| CN-109937201-A | HEPATITIS B CORE PROTEIN MODULATORS | 组装生物科学股份有限公司 | 2019-06-25 | — | — | CN | disclosed |
| CN-109516987-A | A kind of AVM hereinafter Batan centre preparation | 江西富祥药业股份有限公司 | 2019-03-26 | — | — | CN | disclosed |
| CN-109415321-A | aromatic sulfonamide derivatives | 拜耳制药股份公司 | 2019-03-01 | — | — | CN | disclosed |
| CN-105283443-B | Hete rocyclic derivatives and application thereof | 株式会社C&C新药研究所 | 2018-08-17 | — | — | CN | disclosed |
| CN-105283443-A | Heterocyclic derivatives and use thereof | C & C RES LAB | 2016-01-27 | — | — | CN | disclosed |