Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | FBP1 | P09467 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.36 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.36 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.36 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.36 |
| ▸ | TUBB | P07437 | 1/20 | 0.36 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.36 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.36 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.36 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.36 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.36 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10132630 | 0.84 | TDP1 (0.43) | ABCB1ALDH1A1TDP1FBP1ABCC1 | |
| SCHEMBL10132579 | 0.84 | ABCB1 (0.50) | ABCB1ALDH1A1TDP1FBP1ABCC1 | |
| SCHEMBL424909 | 0.84 | ALDH1A1 (0.49) | ABCB1ALDH1A1TDP1FBP1ABCC1 | |
| SCHEMBL10161844 | 0.82 | ALDH1A1 (0.46) | ABCB1ALDH1A1TDP1ABCC1TUBB4A | |
| SCHEMBL12074714 | 0.81 | ALDH1A1 (0.40) | ABCB1ALDH1A1TDP1ABCC1TUBB4A | |
| SCHEMBL10132774 | 0.81 | MAPT (0.42) | ABCB1ALDH1A1TDP1ABCC1TUBB4A | |
| SCHEMBL10132749 | 0.78 | TDP1 (0.42) | ABCB1ALDH1A1TDP1ABCC1TUBB4A | |
| SCHEMBL10132807 | 0.78 | ALDH1A1 (0.50) | ABCB1ALDH1A1TDP1TUBB4ATUBB | |
| SCHEMBL10132824 | 0.78 | CHEK1 (0.44) | ABCB1 | |
| SCHEMBL10132794 | 0.76 | TUBB4A (0.43) | ALDH1A1TDP1TUBB4ATUBBTUBA3C |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011163610-A2 | ANTIMICROBIAL AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2011-12-29 | — | — | WO | disclosed |