Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.63 |
| ▸ | PKM | P14618 | 1/20 | 0.60 |
| ▸ | PKLR | P30613 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | FAAH | O00519 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 2/20 | 0.46 |
| ▸ | PTPRA | P18433 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL31098071 | 1.00 | NQO2 (0.63) | NQO2PKMPKLRMAPTSMN1; SMN2 | |
| SCHEMBL4353432 | 0.92 | NQO2 (0.60) | NQO2PKMPKLRMAPTSMN1; SMN2 | |
| SCHEMBL7008593 | 0.88 | NQO2 (0.66) | NQO2PKMPKLRMAPTSMN1; SMN2 | |
| SCHEMBL11537110 | 0.85 | NQO2 (0.63) | NQO2PKMPKLRMAPTSMN1; SMN2 | |
| SCHEMBL31098035 | 0.85 | NQO2 (0.67) | NQO2PKMPKLRMAPTSMN1; SMN2 | |
| SCHEMBL8629832 | 0.85 | NQO2 (0.67) | NQO2PKMPKLRMAPTSMN1; SMN2 | |
| SCHEMBL1520627 | 0.85 | LTA4H (0.65) | NQO2PKMPKLRMAPTLTA4H | |
| SCHEMBL31573286 | 0.85 | LTA4H (0.65) | NQO2PKMPKLRMAPTLTA4H | |
| SCHEMBL27929617 | 0.84 | NQO2 (0.61) | NQO2PKMPKLRMAPTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL21546050 | 0.84 | LTA4H (0.67) | NQO2PKMPKLRMAPTLTA4H |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0644187-B1 | Antimigraine cyclobutenedione derivatives of tryptamines | BRISTOL MYERS SQUIBB CO (US) | 1998-07-01 | — | — | EP | disclosed |
| EP-0644187-A1 | Antimigraine cyclobutenedione derivatives of tryptamines | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-03-22 | — | — | EP | disclosed |
| US-5382592-A | Antimigraine cyclobutenedione derivatives of tryptamines | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-01-17 | — | — | US | disclosed |