Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | USP2 | O75604 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SOS1 | Q07889 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL1394557 | 0.89 | USP2 (0.42) | TSHRSLC6A2SLC6A4SLC6A3HTR1A | |
| SCHEMBL10112057 | 0.84 | HTR1A (0.41) | SLC6A2SLC6A4SLC6A3HTR1AADRA1A | |
| SCHEMBL6927948 | 0.81 | TSHR (0.47) | TSHRSLC6A2SLC6A4SLC6A3HTR1A | |
| SCHEMBL6195922 | 0.79 | ADRB1 (0.59) | SLC6A2SLC6A4SLC6A3HTR1AALDH1A1 | |
| Hydrochloric Acid SCHEMBL3710005 | 0.78 | ADRB1 (0.58) | SLC6A2SLC6A4SLC6A3HTR1ACYP2D6 | |
| SCHEMBL1395113 | 0.76 | CYP3A4 (0.47) | TSHRHTR1AADRA1AADRA1BCYP2D6 | |
| SCHEMBL10112002 | 0.76 | HTR1A (0.47) | SLC6A2SLC6A4SLC6A3HTR1AADRA1A | |
| Trifluoroacetic Acid SCHEMBL1394390 | 0.74 | SCD (0.42) | HTR1AADRA1AADRA1BSCD | |
| SCHEMBL13261278 | 0.74 | ADRB1 (0.53) | SLC6A2SLC6A4SLC6A3HTR1AADRA1A | |
| SCHEMBL1394565 | 0.74 | SCD (0.48) | HTR1AADRA1AADRA1BCYP2D6ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120010186-A1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | MERCK FROSST CANADA LTD. (CA) | 2012-01-12 | — | — | US | disclosed |
| US-20120010186-A1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | MERCK FROSST CANADA LTD. (CA) | 2012-01-12 | — | — | US | disclosed |
| WO-2010108268-A1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | MERCK FROSST CANADA LTD. (CA) | 2010-09-30 | — | — | WO | 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-20120010186-A1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | SCD, SCD5, FASN | TSHR 3261/4885SLC6A2 4701/4885SLC6A4 4659/4885 |
“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.