Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 6/20 | 0.35 |
| ▸ | CTSL | P07711 | 3/20 | 0.35 |
| ▸ | CTSS | P25774 | 3/20 | 0.35 |
| ▸ | CTSB | P07858 | 2/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | ADAM10 | O14672 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | MMP14 | P50281 | 1/20 | 0.34 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9734960 | 0.81 | ABCC9 (0.36) | ABCB1MAOB | |
| SCHEMBL8085392 | 0.80 | HTR1A (0.35) | ABCB1MAOB | |
| SCHEMBL9194883 | 0.80 | PDE4A (0.36) | CYP3A4ALOX15ABCB1MAOB | |
| SCHEMBL9735036 | 0.80 | HTR1A (0.34) | ABCB1MAOB | |
| Bimakalim SCHEMBL231904 | 0.76 | PDE4A (0.43) | ABCB1MAOB | |
| SCHEMBL9737142 | 0.76 | MAOB (0.42) | CYP3A4ALOX15ABCB1CTSLCTSS | |
| SCHEMBL9300169 | 0.74 | PDE4A (0.39) | CYP3A4ALOX15ABCB1MAOB | |
| SCHEMBL8088666 | 0.74 | CASP3 (0.34) | ABCB1MAOB | |
| SCHEMBL9299446 | 0.73 | PDE4A (0.38) | CYP3A4ALOX15ABCB1MAOB | |
| SCHEMBL8133760 | 0.72 | HTR1A (0.33) | MAOB |
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 |
|---|---|---|---|---|---|---|---|
| US-5130322-A | CHROMAN DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-07-14 | — | — | US | disclosed |