Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 7/20 | 0.58 |
| ▸ | HEXA | P06865 | 5/20 | 0.58 |
| ▸ | HEXB | P07686 | 5/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5086312 | 0.77 | RECQL (0.49) | DHFRHEXAHEXBLMNAALDH1A1 | |
| SCHEMBL7162150 | 0.75 | DHFR (0.66) | DHFRHEXAHEXBLMNAALDH1A1 | |
| SCHEMBL3498787 | 0.73 | HEXA (1.00) | DHFRHEXAHEXBLMNAMEN1 | |
| SCHEMBL3502224 | 0.71 | DHFR (0.78) | DHFRHEXAHEXBLMNAMEN1 | |
| SCHEMBL3500167 | 0.71 | DHFR (0.61) | DHFRHEXAHEXBLMNAALDH1A1 | |
| SCHEMBL1031028 | 0.71 | DHFR (0.56) | DHFRHEXAHEXBLMNAALDH1A1 | |
| SCHEMBL28594009 | 0.70 | DHFR (0.56) | DHFRHEXAHEXBALDH1A1TDP1 | |
| SCHEMBL11818733 | 0.69 | HEXA (0.55) | DHFRHEXAHEXBLMNAMEN1 | |
| SCHEMBL2473930 | 0.69 | DHFR (0.58) | DHFRHEXAHEXBLMNAALDH1A1 | |
| Hydrochloric Acid SCHEMBL11822636 | 0.68 | HEXA (0.54) | DHFRHEXAHEXBLMNAMEN1 |
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-1904457-A2 | COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY | Rigel Pharmaceuticals, Inc. (US) | 2008-04-02 | — | — | EP | claimed |
| WO-2006133426-A2 | COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY | RIGEL PHARMACEUTICALS, INC. (US) | 2006-12-14 | — | — | WO | claimed |