Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSV | O60911 | 4/20 | 0.40 |
| ▸ | CTSL | P07711 | 4/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.37 |
| ▸ | GABRD | O14764 | 1/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.37 |
| ▸ | GABRE | P78334 | 1/20 | 0.37 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.37 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.37 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.37 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL8629985 | 0.78 | CTSV (0.38) | CTSVCTSLGABRA1GABRG2GABRB3 | |
| SCHEMBL8629980 | 0.67 | ALDH1A1 (0.41) | CTSVCTSLGABRA1GABRG2GABRB3 | |
| SCHEMBL797881 | 0.66 | ALDH1A1 (0.42) | CTSVCTSLGABRA1GABRG2GABRB3 | |
| SCHEMBL155013 | 0.66 | GABRA1 (0.70) | CTSVCTSLGABRA1GABRG2GABRB3 | |
| SCHEMBL29540314 | 0.66 | GABRA1 (0.70) | CTSVCTSLGABRA1GABRG2GABRB3 | |
| SCHEMBL9400558 | 0.62 | MAPT (0.54) | CTSVCTSLGABRA1GABRG2GABRB3 | |
| SCHEMBL9542154 | 0.62 | MAPT (0.50) | CTSVCTSLGABRA1GABRG2GABRB3 | |
| SCHEMBL12722533 | 0.61 | MAPT (0.59) | CTSVCTSLGABRA1GABRG2GABRB3 | |
| SCHEMBL8472548 | 0.61 | CHRNB2 (0.43) | MAPTALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL1181214 | 0.61 | CTSV (0.86) | CTSVCTSLGABRA1GABRG2GABRB3 |
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 |