Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.33 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.33 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.33 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | LPL | P06858 | 1/20 | 0.30 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Tolyl Boronic Acid SCHEMBL8170700 | 0.76 | CA2 (0.50) | CYP1A2CYP2C19ORAI1ORAI2ORAI3 | |
| SCHEMBL28299770 | 0.75 | ORAI1 (0.47) | CYP1A2CYP2C19ORAI1ORAI2ORAI3 | |
| SCHEMBL5600076 | 0.74 | ORAI1 (0.58) | ORAI1ORAI2ORAI3TRPV6CA2 | |
| SCHEMBL6974398 | 0.72 | ORAI1 (0.47) | ORAI1ORAI2ORAI3TRPV6CA2 | |
| SCHEMBL5586183 | 0.65 | ORAI1 (0.67) | ORAI1ORAI2ORAI3TRPV6CA2 | |
| Tolyl Boronic Acid SCHEMBL28299771 | 0.65 | CA2 (0.67) | ORAI1ORAI2ORAI3TRPV6CA2 | |
| SCHEMBL21658305 | 0.64 | DRD2 (0.30) | — | |
| SCHEMBL12266144 | 0.64 | TRPV6 (0.80) | ORAI1ORAI2ORAI3TRPV6CA2 | |
| SCHEMBL7183051 | 0.64 | ACHE (0.52) | ORAI1ORAI2ORAI3TRPV6CA2 | |
| SCHEMBL1360652 | 0.64 | ENPP2 (0.56) | ORAI1ORAI2ORAI3CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0968158-A1 | METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM | Basell Polyolefine GmbH (DE) | 2000-01-05 | — | — | EP | disclosed |
| WO-1998040331-A1 | PREPARATION OF PREPARING SUBSTITUTED INDANONES | TARGOR GMBH (DE) | 1998-09-17 | — | — | WO | disclosed |