Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.42 |
| ▸ | NQO2 | P16083 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | TUBB1 | Q9H4B7 | 8/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 6/20 | 0.41 |
| ▸ | TUBB | P07437 | 6/20 | 0.41 |
| ▸ | TUBA3C | P0DPH7 | 6/20 | 0.41 |
| ▸ | TUBA1B | P68363 | 6/20 | 0.41 |
| ▸ | TUBA4A | P68366 | 6/20 | 0.41 |
| ▸ | TUBB4B | P68371 | 6/20 | 0.41 |
| ▸ | TUBB3 | Q13509 | 6/20 | 0.41 |
| ▸ | TUBB2A | Q13885 | 6/20 | 0.41 |
| ▸ | TUBB8 | Q3ZCM7 | 6/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11129188 | 0.82 | CA9 (0.45) | ACHECA9CYP3A4MAPTPTGS2 | |
| SCHEMBL21830258 | 0.80 | CYP1A1 (0.41) | ACHECA9CYP3A4MAPTCYP1A1 | |
| SCHEMBL29442952 | 0.80 | ALDH1A1 (0.52) | CYP3A4MAPTCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL8851561 | 0.80 | ALDH1A1 (0.52) | CYP3A4MAPTCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL357981 | 0.79 | CA2 (0.53) | ACHECA9CYP3A4MAPTCYP1A2 | |
| SCHEMBL29442958 | 0.79 | CA2 (0.53) | ACHECA9CYP3A4MAPTCYP1A2 | |
| SCHEMBL18921825 | 0.76 | PDE4A (0.46) | CYP3A4MAPTCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL27636150 | 0.76 | ALDH1A1 (0.49) | — | |
| SCHEMBL12627522 | 0.75 | CA9 (0.39) | ACHECA9CYP3A4MAPTTUBB1 | |
| SCHEMBL10928876 | 0.74 | MAPT (0.54) | CA9MAPTCYP1A1CYP1A2CYP1B1 |
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-1827578-A | Anti-tumor naphthoquinone formic acid soft analogues | UNIV SHANGHAI JIAOTONG (CN) | 2006-09-06 | — | — | CN | disclosed |