Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | DHPS | P49366 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.34 |
| ▸ | TUBB | P07437 | 2/20 | 0.34 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.34 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.34 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.34 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.34 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.34 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.34 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.34 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.34 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.34 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.34 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 0.34 |
| ▸ | TUBB2B | Q9BVA1 | 2/20 | 0.34 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.34 |
| ▸ | RHEB | Q15382 | 2/20 | 0.34 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27708218 | 0.82 | AHR (0.64) | AHRDHPSTDP1TUBB4ATUBB | |
| SCHEMBL28241523 | 0.80 | CYP2A6 (0.45) | AHRTDP1 | |
| Tert-Butyl Formate SCHEMBL27772017 | 0.80 | TDP1 (0.41) | AHRDHPSTDP1TUBB4ATUBB | |
| Tert-Butyl Formate SCHEMBL27772019 | 0.79 | TRPA1 (0.41) | AHRDHPSTDP1TUBB4ATUBB | |
| Tert-Butyl Formate SCHEMBL28030918 | 0.79 | TDP1 (0.42) | AHRDHPSTDP1TUBB4ATUBB | |
| Tert-Butyl Formate SCHEMBL27772035 | 0.79 | RHEB (0.47) | AHRDHPSTDP1RHEB | |
| Tert-Butyl Formate SCHEMBL27892285 | 0.76 | AHR (0.37) | AHRDHPSTDP1HTR1BHTR1A | |
| Tert-Butyl Formate SCHEMBL27892365 | 0.75 | DAO (0.39) | AHRDHPSTDP1TUBB4ATUBB | |
| SCHEMBL2607555 | 0.75 | AHR (0.50) | AHRDHPSRHEBHTR1BPIK3CD | |
| SCHEMBL5720513 | 0.73 | AHR (0.57) | AHRDHPSRHEBHTR1BPIK3CD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109265443-A | Heterocyclic compound and its application as ASK inhibitor | 南京圣和药业股份有限公司 | 2019-01-25 | — | — | CN | disclosed |