Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28457707 | 0.84 | TDP1 (0.50) | TDP1GAAMEN1KMT2AMAOA | |
| SCHEMBL26250005 | 0.83 | TDP1 (0.46) | TDP1GAAMEN1KMT2AMAOA | |
| SCHEMBL20782862 | 0.82 | TDP1 (0.43) | TDP1GAAMEN1KMT2AMAOA | |
| SCHEMBL20257493 | 0.81 | TDP1 (0.50) | TDP1GAAMEN1KMT2AMAOA | |
| SCHEMBL22693649 | 0.80 | TDP1 (0.53) | TDP1GAAMEN1KMT2AMAOA | |
| SCHEMBL14341249 | 0.80 | GAA (0.54) | TDP1GAAMEN1KMT2AMAOA | |
| SCHEMBL24974792 | 0.79 | TDP1 (0.51) | TDP1GAAMEN1KMT2AMAOA | |
| SCHEMBL12318662 | 0.79 | TDP1 (0.51) | TDP1GAAMEN1KMT2AMAOA | |
| SCHEMBL18385844 | 0.79 | TDP1 (0.51) | TDP1GAAMEN1KMT2AMAOA | |
| SCHEMBL7434241 | 0.78 | TDP1 (0.59) | TDP1GAAMEN1KMT2AMAOA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3248968-A1 | RESORCINOL DERIVATIVE AS HSP90 INHIBITOR | Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) | 2017-11-29 | — | — | EP | disclosed |