Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSV | O60911 | 4/20 | 0.38 |
| ▸ | CTSL | P07711 | 4/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | NPY1R | P25929 | 1/20 | 0.37 |
| ▸ | NPY2R | P49146 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8629977 | 0.78 | CTSV (0.40) | CTSVCTSLCA12CA9MAPT | |
| SCHEMBL8629980 | 0.74 | ALDH1A1 (0.41) | CTSVCTSLCA12CA9MAPT | |
| SCHEMBL797881 | 0.72 | ALDH1A1 (0.42) | CTSVCTSLCA12CA9MAPT | |
| SCHEMBL7006659 | 0.64 | HTT (0.45) | MAPTALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL7471041 | 0.63 | KMT2A (0.52) | MAPTALDH1A1MEN1KMT2APOLB | |
| SCHEMBL8472554 | 0.63 | CHRNB2 (0.49) | MAPTALDH1A1MEN1KMT2APOLB | |
| SCHEMBL7472196 | 0.63 | KMT2A (0.44) | MAPTALDH1A1MEN1KMT2APOLB | |
| SCHEMBL1780014 | 0.63 | CA12 (0.46) | CTSVCTSLCA12CA9MAPT | |
| SCHEMBL29540314 | 0.63 | GABRA1 (0.70) | CTSVCTSLCA12CA9MAPT | |
| SCHEMBL155013 | 0.63 | GABRA1 (0.70) | CTSVCTSLCA12CA9MAPT |
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 |