Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | HTR1D | P28221 | 14/20 | 0.41 |
| ▸ | HTR1B | P28222 | 7/20 | 0.41 |
| ▸ | DRD2 | P14416 | 5/20 | 0.41 |
| ▸ | HTR2A | P28223 | 5/20 | 0.41 |
| ▸ | HTR1A | P08908 | 3/20 | 0.41 |
| ▸ | DRD4 | P21917 | 2/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | EP300 | Q09472 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8812246 | 1.00 | MEN1 (0.55) | MEN1KMT2AHTR1DHTR1BDRD2 | |
| SCHEMBL8811219 | 0.84 | MEN1 (0.39) | MEN1KMT2AHTR1DHTR1BDRD2 | |
| SCHEMBL8551017 | 0.84 | MEN1 (0.39) | MEN1KMT2AHTR1DHTR1BDRD2 | |
| SCHEMBL6812077 | 0.79 | HTR1D (0.43) | HTR1DHTR1BDRD2HTR2AHTR1A | |
| SCHEMBL5097946 | 0.79 | HTR1D (0.43) | HTR1DHTR1BDRD2HTR2AHTR1A | |
| SCHEMBL8550172 | 0.79 | HTR1D (0.46) | HTR1DHTR1BDRD2HTR2AHTR1A | |
| SCHEMBL2981986 | 0.72 | MEN1 (0.88) | MEN1KMT2AKDM4CCREBBPL3MBTL1 | |
| SCHEMBL12193490 | 0.71 | KMT2A (0.67) | MEN1KMT2AKDM4CRAB9A | |
| SCHEMBL7385130 | 0.71 | MEN1 (0.51) | MEN1KMT2ACREBBPEP300 | |
| SCHEMBL224651 | 0.71 | MEN1 (1.00) | MEN1KMT2AL3MBTL1 |
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-0836599-A1 | 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES | PHARMACIA & UPJOHN COMPANY (US) | 1998-04-22 | — | — | EP | disclosed |
| WO-1997002259-A1 | 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES | PHARMACIA & UPJOHN COMPANY (US) | 1997-01-23 | — | — | WO | disclosed |