Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.41 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.41 |
| ▸ | ESRRG | P62508 | 4/20 | 0.40 |
| ▸ | SLC13A5 | Q86YT5 | 2/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | ESRRB | O95718 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8956085 | 0.88 | KCNH2 (0.53) | KCNH2TSHRTP53SIGMAR1GPR84 | |
| SCHEMBL9197909 | 0.82 | ESR1 (0.44) | KCNH2TSHRGRIA4 | |
| SCHEMBL9004469 | 0.82 | GFER (0.36) | TSHRTP53BCHEACHE | |
| SCHEMBL6285109 | 0.79 | GFER (0.41) | TSHRTP53BCHEACHE | |
| SCHEMBL7456580 | 0.79 | KCNH2 (0.59) | KCNH2TSHRTP53SIGMAR1GPR84 | |
| SCHEMBL1612731 | 0.79 | KCNH2 (0.47) | KCNH2TSHRTP53SIGMAR1GPR84 | |
| SCHEMBL1864936 | 0.79 | TP53 (0.52) | KCNH2TSHRTP53SIGMAR1GPR84 | |
| SCHEMBL66122 | 0.79 | TP53 (0.52) | KCNH2TSHRTP53SIGMAR1GPR84 | |
| SCHEMBL8803722 | 0.79 | TAAR1 (0.55) | DAO | |
| SCHEMBL8955799 | 0.78 | ALDH1A1 (0.52) | KCNH2TSHRTP53BCHEACHE |
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-115141073-B | Preparation method of aromatic hydrocarbon dimer compound | 五邑大学 | 2024-05-24 | — | — | CN | disclosed |
| CN-115724706-B | Method for rapidly converting aldehyde group into cyano group | 中国科学院兰州化学物理研究所 | 2024-04-12 | — | — | CN | disclosed |
| CN-117486772-A | Preparation method of 1, 2-diselenide compound | 中国石油大学(华东) | 2024-02-02 | — | — | CN | disclosed |
| CN-115724706-A | Method for quickly converting aldehyde group into cyano group | 中国科学院兰州化学物理研究所 | 2023-03-03 | — | — | CN | disclosed |
| CN-115141073-A | Preparation method of aromatic hydrocarbon dimer compound | 五邑大学 | 2022-10-04 | — | — | CN | disclosed |
| CN-111116285-B | Efficient preparation method of 1-aryl-4-butene compound | 大连理工大学 | 2021-05-07 | — | — | CN | disclosed |
| CN-111116285-A | Efficient preparation method of 1-aryl-4-butene compound | 大连理工大学 | 2020-05-08 | — | — | CN | disclosed |
| US-5486533-A | DIAZOLE OR TRIAZOLES WITH SILFIDES | UNIROYAL CHEMICAL COMPANY, INC. (US) | 1996-01-23 | — | — | US | disclosed |
| EP-0663904-A1 | FUNGICIDAL SUBSTITUTED AZOLE DERIVATIVES | UNIROYAL CHEMICAL COMPANY, Inc. (US) | 1995-07-26 | — | — | EP | disclosed |
| WO-1994008978-A1 | FUNGICIDAL SUBSTITUTED AZOLE DERIVATIVES | UNIROYAL CHEMICAL COMPANY, INC. (US) | 1994-04-28 | — | — | WO | disclosed |