Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | MTOR | P42345 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | BLM | P54132 | 3/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | HTR2A | P28223 | 7/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 7/20 | 0.40 |
| ▸ | HRH1 | P35367 | 7/20 | 0.40 |
| ▸ | DRD3 | P35462 | 7/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 7/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10759482 | 0.92 | SLC6A3 (0.42) | CYP3A4CYP2D6MAPK1MTORRAB9A | |
| Hydrochloric Acid SCHEMBL10692827 | 0.91 | SLC6A3 (0.42) | CYP3A4CYP2D6MAPK1MTORRAB9A | |
| SCHEMBL10691826 | 0.88 | HTR2A (0.43) | CYP3A4CYP2D6MAPK1MTORRAB9A | |
| Maleic Acid SCHEMBL10754715 | 0.83 | HTR2A (0.41) | CYP3A4CYP2D6MAPK1MTORRAB9A | |
| Hydrochloric Acid SCHEMBL10409299 | 0.81 | LMNA (0.43) | CYP3A4CYP2D6MAPK1MTORRAB9A | |
| SCHEMBL10694109 | 0.78 | POLB (0.35) | KDM4EADRA1ALMNADRD2MAPT | |
| SCHEMBL10759620 | 0.78 | DRD2 (0.41) | MEN1KMT2AKDM4EADRA1ADRD3 | |
| Hydrochloric Acid SCHEMBL10570034 | 0.74 | MEN1 (0.38) | CYP3A4CYP2D6MAPK1MTORRAB9A | |
| SCHEMBL10690604 | 0.73 | TDP1 (0.42) | CYP3A4TSHRKDM4EADRA1ADRD3 | |
| SCHEMBL10763371 | 0.72 | HTR1A (0.42) | MEN1KMT2AKDM4EDRD3DRD2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4778793-A | CONTROLLING CALCIUM CONCENTRATION-CARDIOVASCULAR DISORDERS | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-10-18 | — | — | US | disclosed |