Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15302768 | 0.79 | TSHR (0.52) | TSHRMAPK1ALDH1A1CYP1A2TAAR1 | |
| SCHEMBL8334528 | 0.75 | TSHR (0.48) | TSHRMAPK1ALDH1A1CYP1A2TAAR1 | |
| SCHEMBL6036791 | 0.75 | TSHR (0.48) | TSHRMAPK1ALDH1A1CYP1A2TAAR1 | |
| SCHEMBL3805592 | 0.75 | TSHR (0.48) | TSHRMAPK1ALDH1A1CYP1A2TAAR1 | |
| SCHEMBL29000452 | 0.75 | TSHR (0.48) | TSHRMAPK1ALDH1A1CYP1A2TAAR1 | |
| SCHEMBL10824244 | 0.74 | TSHR (0.52) | TSHRMAPK1ALDH1A1CYP1A2TAAR1 | |
| SCHEMBL9364930 | 0.74 | MAPK1 (0.46) | TSHRMAPK1ALDH1A1TAAR1ALOX15 | |
| SCHEMBL15275694 | 0.74 | TSHR (0.52) | TSHRMAPK1ALDH1A1CYP1A2TAAR1 | |
| SCHEMBL686644 | 0.73 | TSHR (0.58) | TSHRMAPK1ALDH1A1CYP1A2TAAR1 | |
| SCHEMBL2743453 | 0.73 | TSHR (0.58) | TSHRMAPK1ALDH1A1CYP1A2TAAR1 |
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-110003209-B | Macrocyclic compounds as TRK kinase inhibitors | 阵列生物制药公司 | 2022-01-25 | — | — | CN | disclosed |
| CN-112745316-A | Estrogen receptor modulators | 里科瑞尔姆IP控股有限责任公司 | 2021-05-04 | — | — | CN | disclosed |
| CN-112679495-A | Estrogen receptor modulators | 里科瑞尔姆IP控股有限责任公司 | 2021-04-20 | — | — | CN | disclosed |
| CN-111818916-A | Macrocyclic MCL-1 inhibitors and methods of use | 艾伯维公司 | 2020-10-23 | — | — | CN | disclosed |
| CN-111818917-A | Macrocyclic MCL-1 inhibitors and methods of use | 艾伯维公司 | 2020-10-23 | — | — | CN | disclosed |
| CN-110809574-A | Heteroaryl dihydropyrimidine derivatives and methods for treating hepatitis b infection | 詹森药业有限公司 | 2020-02-18 | — | — | CN | disclosed |