Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
| ▸ | KDM5A | P29375 | 2/20 | 0.34 |
| ▸ | PHF8 | Q9UPP1 | 2/20 | 0.34 |
| ▸ | KDM2A | Q9Y2K7 | 2/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | KDM4A | O75164 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CEL | P19835 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL452274 | 1.00 | SIGMAR1 (0.50) | SIGMAR1CYP1A2EPHX1GPR84KDM5A | |
| SCHEMBL6589344 | 0.93 | CYP1A2 (0.50) | SIGMAR1CYP1A2EPHX1GPR84KDM5A | |
| SCHEMBL450392 | 0.93 | CYP1A2 (0.50) | SIGMAR1CYP1A2EPHX1GPR84KDM5A | |
| SCHEMBL6033221 | 0.91 | CYP1A2 (0.46) | SIGMAR1CYP1A2EPHX1GPR84KDM5A | |
| SCHEMBL542157 | 0.88 | — | — | |
| SCHEMBL6593465 | 0.86 | SIGMAR1 (0.38) | SIGMAR1CYP1A2KDM5APHF8KDM2A | |
| SCHEMBL6593058 | 0.86 | — | — | |
| SCHEMBL441909 | 0.83 | CYP1A2 (0.42) | SIGMAR1CYP1A2EPHX1CHRM5ADRA2C | |
| SCHEMBL8837639 | 0.81 | SIGMAR1 (0.54) | SIGMAR1CYP1A2EPHX1GPR84KDM5A | |
| SCHEMBL542400 | 0.80 | — | — |
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-0891331-A1 | N-(2 OXOACETYL OR SULPHONYL)-PYRROLIDINE/PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY | Vertex Pharmaceuticals Incorporated (US) | 1999-01-20 | — | — | EP | disclosed |
| WO-1997036869-A1 | N-(2 OXOACETYL OR SULPHONYL)-PYRROLIDINE/PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1997-10-09 | — | — | WO | disclosed |