Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | DHPS | P49366 | 3/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | RHEB | Q15382 | 2/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.35 |
| ▸ | TUBB | P07437 | 2/20 | 0.35 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.35 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.35 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.35 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.35 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.35 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.35 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.35 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.35 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.35 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.35 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 0.35 |
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 | 0.83 | AHR (0.64) | TDP1AHRDHPSMAPK14RHEB | |
| Tert-Butyl Formate SCHEMBL27772019 | 0.83 | TRPA1 (0.41) | TDP1AHRDHPSMAPK14RHEB | |
| Tert-Butyl Formate SCHEMBL27772035 | 0.83 | RHEB (0.47) | TDP1AHRDHPSRHEB | |
| Tert-Butyl Formate SCHEMBL28030918 | 0.83 | TDP1 (0.42) | TDP1AHRDHPSRHEBTUBB4A | |
| SCHEMBL29810241 | 0.81 | AHR (0.56) | AHRATMMAPK14RHEBBRD4 | |
| SCHEMBL65514 | 0.81 | AHR (0.56) | AHRATMMAPK14RHEBBRD4 | |
| SCHEMBL28869455 | 0.80 | AHR (0.42) | TDP1AHRDHPSRHEBTUBB4A | |
| Ethoxycarbonyl Group SCHEMBL27369293 | 0.80 | AHR (0.39) | AHRATMMAPK14RHEBBRD4 | |
| Tert-Butyl Formate SCHEMBL27892365 | 0.80 | DAO (0.39) | TDP1AHRDHPSBRD4TUBB4A | |
| Tert-Butyl Formate SCHEMBL27773431 | 0.79 | ATM (0.65) | TDP1ATM |
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-101495449-A | 2-phenyl-indoles as prostaglandin D2 receptor antagonists | SANOFI AVENTIS (FR) | 2009-07-29 | — | — | CN | disclosed |