Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | PI4KA | P42356 | 1/20 | 0.31 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.31 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.31 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | TDO2 | P48775 | 1/20 | 0.30 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL73803 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL5826244 | 0.92 | — | — | |
| Acetic Acid SCHEMBL11238203 | 0.84 | GABRP (0.35) | KDM4ENPC1RAB9A | |
| Pyrimidine SCHEMBL28742052 | 0.84 | HSP90AA1 (0.38) | NOS3NOS1NOS2PI4KAPI4K2B | |
| SCHEMBL742724 | 0.65 | — | — | |
| SCHEMBL139209 | 0.63 | MDM2 (0.51) | KDM4ENPC1MAPTRAB9ANOTUM | |
| SCHEMBL3082762 | 0.63 | NPC1 (0.42) | KDM4ENPC1MAPTRAB9AMDM2 | |
| SCHEMBL28324917 | 0.63 | — | — | |
| SCHEMBL700662 | 0.62 | ALDH1A1 (0.48) | KDM4ENPC1MAPTRAB9AMDM2 | |
| SCHEMBL8524430 | 0.62 | MDM2 (0.50) | KDM4ENPC1MAPTRAB9ANOTUM |
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-1648892-A2 | ARYL-SUBSTITUTED BENZO[D]ISOTHIAZOL-3-YLAMINE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS | NEUROGEN CORPORATION (US) | 2006-04-26 | — | — | EP | disclosed |
| WO-2005009982-A2 | ARYL-SUBSTITUTED BENZO[D]ISOTHIAZOL-3-YLAMINE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS | NEUROGEN CORPORATION (US) | 2005-02-03 | — | — | WO | disclosed |