Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.42 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL27556629 | 0.85 | ALDH1A1 (0.57) | ALDH1A1HSD17B10TSHRCA12CA1 | |
| SCHEMBL31535424 | 0.83 | TSHR (0.49) | ALDH1A1HSD17B10TSHRCA12CA1 | |
| SCHEMBL23537740 | 0.82 | ABL1 (0.56) | ALDH1A1HSD17B10TSHRCA12CA1 | |
| SCHEMBL7499227 | 0.81 | ALDH1A1 (0.56) | ALDH1A1HSD17B10TSHRCA12CA1 | |
| SCHEMBL24717780 | 0.81 | ALDH1A1 (0.56) | ALDH1A1HSD17B10TSHRCA12CA1 | |
| SCHEMBL30798553 | 0.81 | ALDH1A1 (0.56) | ALDH1A1HSD17B10TSHRCA12CA1 | |
| SCHEMBL3793069 | 0.80 | ALDH1A1 (0.51) | ALDH1A1HSD17B10TSHRLMNACYP1A2 | |
| SCHEMBL21596124 | 0.79 | HDAC4 (0.46) | ALDH1A1HSD17B10TSHRCA12CA1 | |
| SCHEMBL3018457 | 0.78 | ALDH1A1 (0.45) | ALDH1A1HSD17B10TSHRCA12CA1 | |
| SCHEMBL21596127 | 0.78 | TSHR (0.44) | ALDH1A1HSD17B10TSHRCA12CA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2170830-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON, INC. (US) | 2010-04-07 | — | — | EP | disclosed |
| WO-2009012283-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON INC. (US) | 2009-01-22 | — | — | WO | disclosed |