Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.33 |
| ▸ | PIR | O00625 | 1/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
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 | 0.82 | PDK2 (0.43) | RAB9AALDH1A1HPGDGAATSHR | |
| SCHEMBL8554148 | 0.81 | EGFR (0.36) | RAB9ASMN1; SMN2ALDH1A1HPGDGAA | |
| SCHEMBL7092149 | 0.76 | DRD2 (0.40) | RAB9AL3MBTL1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL8551554 | 0.74 | DRD4 (0.46) | L3MBTL1SMN1; SMN2ALDH1A1DRD2HRH3 | |
| SCHEMBL5637772 | 0.72 | MCHR1 (0.51) | RAB9AALDH1A1HPGDGAANAMPT | |
| SCHEMBL5635131 | 0.71 | MEN1 (0.46) | RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL8549609 | 0.70 | DRD4 (0.58) | MEN1KMT2ADRD2POLB | |
| SCHEMBL8550687 | 0.70 | DRD4 (0.48) | SMN1; SMN2ALDH1A1TSHRKMT2ADRD2 | |
| SCHEMBL8549471 | 0.70 | DRD4 (0.48) | DRD2MAPTHRH3 | |
| SCHEMBL8551575 | 0.70 | DRD4 (0.48) | ALDH1A1DRD2HRH3 |
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 |