Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PRMT5 | O14744 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | WDR77 | Q9BQA1 | 2/20 | 0.36 |
| ▸ | HTR1D | P28221 | 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 | |
|---|---|---|---|---|
| SCHEMBL8549102 | 0.88 | SMN1; SMN2 (0.39) | ALDH1A1SMN1; SMN2PRMT5TP53MAPT | |
| SCHEMBL8550140 | 0.88 | NAMPT (0.45) | ALDH1A1SMN1; SMN2PRMT5TP53MAPT | |
| SCHEMBL8549479 | 0.84 | HTR1A (0.50) | MAPT | |
| SCHEMBL8627748 | 0.83 | MEN1 (0.45) | ALDH1A1SMN1; SMN2TP53MAPTLMNA | |
| SCHEMBL8553947 | 0.80 | AKR1C3 (0.41) | ALDH1A1SMN1; SMN2TP53MAPTLMNA | |
| SCHEMBL8549068 | 0.76 | POLB (0.39) | ALDH1A1SMN1; SMN2MAPTNPC1KMT2A | |
| SCHEMBL8549848 | 0.76 | DRD2 (0.43) | PRMT5TP53OPRM1MAPTLMNA | |
| SCHEMBL8551575 | 0.76 | DRD4 (0.48) | ALDH1A1HTR1D | |
| SCHEMBL8552472 | 0.74 | MAPT (0.40) | ALDH1A1SMN1; SMN2MAPTLMNA | |
| SCHEMBL7092149 | 0.73 | DRD2 (0.40) | ALDH1A1SMN1; SMN2MAPTLMNANPC1 |
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 |