Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CCR3 | P51677 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8549399 | 0.86 | CCR3 (0.56) | KMT2AMAPTCCR3CYP2D6CYP2C9 | |
| SCHEMBL8549102 | 0.84 | SMN1; SMN2 (0.39) | MEN1KMT2AALDH1A1SMN1; SMN2TP53 | |
| SCHEMBL8553947 | 0.83 | AKR1C3 (0.41) | MEN1KMT2AALDH1A1SMN1; SMN2TP53 | |
| SCHEMBL8551580 | 0.83 | ALDH1A1 (0.38) | MEN1KMT2AALDH1A1SMN1; SMN2TP53 | |
| SCHEMBL8550140 | 0.83 | NAMPT (0.45) | ALDH1A1SMN1; SMN2TP53MAPTLMNA | |
| SCHEMBL8627744 | 0.77 | DRD4 (0.51) | MEN1KMT2AALDH1A1MAPTPOLB | |
| SCHEMBL8549848 | 0.74 | DRD2 (0.43) | TP53MAPTLMNADRD2 | |
| SCHEMBL8549853 | 0.72 | DRD4 (0.65) | ALDH1A1SMN1; SMN2TP53MAPTPOLB | |
| SCHEMBL8549068 | 0.69 | POLB (0.39) | KMT2AALDH1A1SMN1; SMN2MAPTNPC1 | |
| SCHEMBL8548777 | 0.68 | HTR1D (0.54) | POLBDRD2DRD4 |
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 |