Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NPY1R | P25929 | 1/20 | 0.41 |
| ▸ | NPY2R | P49146 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | CTSV | O60911 | 3/20 | 0.40 |
| ▸ | CTSL | P07711 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL797881 | 0.94 | ALDH1A1 (0.42) | ALDH1A1MEN1KMT2APOLBPKM | |
| SCHEMBL6595669 | 0.76 | CYP19A1 (0.41) | ALDH1A1MEN1KMT2APOLBPKM | |
| SCHEMBL5171836 | 0.74 | ALDH1A1 (0.43) | ALDH1A1PKMMAPTLMNAKDM4E | |
| SCHEMBL8629985 | 0.74 | CTSV (0.38) | ALDH1A1MEN1KMT2APOLBPKM | |
| SCHEMBL4349844 | 0.73 | KIF11 (0.39) | ALDH1A1MEN1KMT2APOLBMAPT | |
| SCHEMBL2367117 | 0.72 | TSHR (0.47) | ALDH1A1KMT2APOLBKCNH2MAPT | |
| SCHEMBL4350279 | 0.71 | HCRTR1 (0.48) | ALDH1A1MEN1KMT2APOLBMAPT | |
| SCHEMBL23882981 | 0.71 | HSD17B10 (0.43) | ALDH1A1MEN1KMT2AMAPTLMNA | |
| SCHEMBL30001627 | 0.71 | HSD17B10 (0.43) | ALDH1A1MEN1KMT2AMAPTLMNA | |
| SCHEMBL4350293 | 0.69 | HTR1D (0.39) | — |
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 |