Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | PIR | O00625 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8549581 | 0.88 | PDK2 (0.43) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL7092149 | 0.82 | DRD2 (0.40) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL8551623 | 0.81 | RAB9A (0.38) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL8550252 | 0.77 | DRD4 (0.59) | — | |
| SCHEMBL8550516 | 0.76 | DRD4 (0.47) | TSHRMEN1KMT2ALMNAMAPT | |
| SCHEMBL8549471 | 0.76 | DRD4 (0.48) | MAPT | |
| SCHEMBL8553551 | 0.76 | DRD4 (0.48) | — | |
| SCHEMBL8551575 | 0.76 | DRD4 (0.48) | ALDH1A1 | |
| SCHEMBL8550687 | 0.76 | DRD4 (0.48) | ALDH1A1TSHRKMT2AMAPTSMN1; SMN2 | |
| SCHEMBL8549845 | 0.75 | HRH3 (0.49) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0836599-A1 | 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES | PHARMACIA & UPJOHN COMPANY (US) | 1998-04-22 | — | — | EP | disclosed |