Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2852512 | 0.95 | HTT (0.57) | TDP1CYP1A2HTTLMNAKMT2A | |
| SCHEMBL15531 | 0.90 | TDP1 (0.62) | TDP1CYP1A2HTTPOLBALDH1A1 | |
| SCHEMBL4508546 | 0.90 | TDP1 (0.62) | TDP1CYP1A2HTTPOLBALDH1A1 | |
| Hydrochloric Acid SCHEMBL29238555 | 0.87 | TDP1 (0.59) | TDP1CYP1A2HTTPOLBALDH1A1 | |
| Hydrochloric Acid SCHEMBL11666844 | 0.87 | TDP1 (0.59) | TDP1CYP1A2HTTPOLBALDH1A1 | |
| Acetic Acid SCHEMBL1252420 | 0.85 | TDP1 (0.64) | TDP1CYP1A2HTTPOLBALDH1A1 | |
| SCHEMBL76824 | 0.82 | — | — | |
| SCHEMBL21377151 | 0.81 | CYP1A2 (0.81) | TDP1CYP1A2HTTLMNAKMT2A | |
| SCHEMBL5002566 | 0.81 | TDP1 (0.52) | TDP1CYP1A2HTTPOLBALDH1A1 | |
| SCHEMBL13779904 | 0.80 | CYP1A2 (0.56) | TDP1CYP1A2HTTLMNAKMT2A |
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-2012027957-A1 | BUFALIN DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF | SUZHOU NEUPHARMA CO., LTD. (CN) | 2012-03-08 | — | — | WO | claimed |