Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.34 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13321805 | 1.00 | CYP19A1 (0.41) | CYP19A1EPHX1GAAALDH1A1NPC1 | |
| SCHEMBL13321802 | 0.94 | CYP19A1 (0.38) | CYP19A1EPHX1GAAALDH1A1NPC1 | |
| SCHEMBL9723253 | 0.93 | CYP19A1 (0.44) | CYP19A1EPHX1GAAALDH1A1NPC1 | |
| SCHEMBL14991039 | 0.93 | CYP19A1 (0.44) | CYP19A1EPHX1GAAALDH1A1NPC1 | |
| SCHEMBL14991180 | 0.93 | CYP19A1 (0.44) | CYP19A1EPHX1GAAALDH1A1NPC1 | |
| SCHEMBL1078014 | 0.91 | EPHX1 (0.39) | CYP19A1EPHX1ALDH1A1LMNAMAPT | |
| SCHEMBL697519 | 0.91 | — | — | |
| SCHEMBL13321801 | 0.87 | MAPT (0.35) | CYP19A1EPHX1GAAALDH1A1NPC1 | |
| SCHEMBL10025768 | 0.84 | EPHX2 (0.39) | EPHX1SMN1; SMN2CYP1A2HIF1A | |
| SCHEMBL7554418 | 0.82 | CYP1A2 (0.35) | EPHX1LMNASMN1; SMN2MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1228070-B1 | HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE | HOFFMANN LA ROCHE (CH) | 2007-02-07 | — | — | EP | disclosed |