Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL1083446 | 0.80 | MAPT (0.47) | CYP3A4CYP1A2TSHRCYP2D6MAPK1 | |
| SCHEMBL9308973 | 0.80 | GAA (0.41) | CYP3A4CYP1A2TSHRCYP2D6MAPK1 | |
| SCHEMBL8246813 | 0.80 | GAA (0.41) | CYP3A4CYP1A2TSHRCYP2D6MAPK1 | |
| SCHEMBL418068 | 0.80 | GAA (0.41) | CYP3A4CYP1A2TSHRCYP2D6MAPK1 | |
| SCHEMBL13198671 | 0.80 | GAA (0.41) | CYP3A4CYP1A2TSHRCYP2D6MAPK1 | |
| SCHEMBL418070 | 0.80 | GAA (0.41) | CYP3A4CYP1A2TSHRCYP2D6MAPK1 | |
| SCHEMBL8715541 | 0.79 | CYP3A4 (0.34) | CYP3A4CYP1A2TSHRCYP2D6MAPK1 | |
| SCHEMBL20793535 | 0.76 | ALDH1A1 (0.36) | CYP3A4CYP1A2TSHRCYP2D6MAPK1 | |
| SCHEMBL7167658 | 0.75 | ALDH1A1 (0.37) | CYP2C19ALDH1A1 | |
| SCHEMBL1169711 | 0.75 | MEN1 (0.36) | HSD17B10ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5736579-A | ANTIARTHRITIC, ANTIPYRETIC AND ANALGESIC AGENTS | G.D. SEARLE & CO. (US) | 1998-04-07 | — | — | US | disclosed |
| WO-1995030652-A1 | SUBSTITUTED SPIRODIENES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-11-16 | — | — | WO | disclosed |