Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR4 | Q13639 | 2/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 6/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.38 |
| ▸ | F2R | P25116 | 3/20 | 0.38 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.38 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.38 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.35 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.35 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.33 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.33 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.33 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17064819 | 0.88 | MEN1 (0.35) | HTR4ACHE | |
| SCHEMBL26696271 | 0.84 | MEN1 (0.39) | — | |
| SCHEMBL25062674 | 0.84 | ALDH1A1 (0.42) | — | |
| SCHEMBL10154212 | 0.83 | ALDH1A1 (0.44) | — | |
| SCHEMBL7470707 | 0.82 | ITGB3 (0.41) | HTR4ITGB3ITGA2BF2RGNAI3 | |
| SCHEMBL31673968 | 0.80 | KDM4E (0.36) | — | |
| SCHEMBL14734853 | 0.76 | NPC1 (0.42) | ITGB3ITGA2BGNAI3GNAO1GNAI1 | |
| SCHEMBL9824197 | 0.76 | GNAI3 (0.39) | HTR4ITGB3ITGA2BF2RGNAI3 | |
| SCHEMBL9824236 | 0.76 | LMNA (0.45) | HTR4ITGB3ITGA2BF2RGNAI3 | |
| SCHEMBL380886 | 0.75 | TSHR (0.44) | HTR4ITGB3ITGA2BF2RGNAI3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009026446-A9 | HDAC INHIBITORS | ARQULE, INC. (US) | 2010-03-11 | — | — | WO | disclosed |
| WO-2009026446-A2 | HDAC INHIBITORS | ARQULE, INC. (US) | 2009-02-26 | — | — | WO | disclosed |