Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 7/20 | 0.46 |
| ▸ | RAB9A | P51151 | 7/20 | 0.46 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.40 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 6/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17201420 | 0.82 | CYP1A2 (0.60) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL17201421 | 0.81 | CYP1A2 (0.52) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL15774756 | 0.79 | CYP1A2 (0.56) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL17201432 | 0.78 | CYP1A2 (0.58) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL17201438 | 0.77 | MAOB (0.56) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL17201427 | 0.77 | DHFR (0.56) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL15774879 | 0.76 | CYP1A2 (0.49) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL15774728 | 0.76 | NPC1 (0.51) | NPC1RAB9AMAPTHSP90AA1POLB | |
| SCHEMBL29840623 | 0.76 | NPC1 (0.53) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL15774634 | 0.75 | CYP1A2 (0.43) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 |
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-9296711-B2 | Substituted isoxazole amide compounds as inhibitors of stearoyl-CoA desaturase 1 (SCD1) | HOFFMAN-LA ROCHE INC. (US) | 2016-03-29 | — | — | US | disclosed |
| US-20150307463-A1 | SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) | HOFFMANN-LA ROCHE INC. | 2015-10-29 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20150307463-A1 | SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) | SCD, SCD5, CPT1A | CYP1A2 368/4885CYP2D6 747/4885CYP19A1 224/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.