Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8137283 | 1.00 | GABRA1 (0.41) | GABRA1GABRB2TSHRCYP2D6SLC6A4 | |
| SCHEMBL3627333 | 0.83 | TSHR (0.59) | GABRA1GABRB2TSHRCYP2D6SLC6A4 | |
| SCHEMBL10721566 | 0.80 | GABRA1 (0.46) | GABRA1GABRB2TSHRCYP2D6SLC6A4 | |
| SCHEMBL23075000 | 0.79 | TAAR1 (0.48) | GABRA1GABRB2TSHRCYP2D6SLC6A4 | |
| SCHEMBL8137388 | 0.79 | TSHR (0.45) | GABRA1GABRB2TSHRCYP2D6SLC6A4 | |
| SCHEMBL8137389 | 0.79 | TSHR (0.45) | GABRA1GABRB2TSHRCYP2D6SLC6A4 | |
| SCHEMBL9722014 | 0.79 | TSHR (0.41) | GABRA1GABRB2TSHRCYP2D6SLC6A4 | |
| SCHEMBL18887557 | 0.79 | TSHR (0.41) | GABRA1GABRB2TSHRCYP2D6SLC6A4 | |
| SCHEMBL27717880 | 0.78 | GABRA1 (0.44) | GABRA1GABRB2TSHRCYP2D6SLC6A4 | |
| SCHEMBL545484 | 0.78 | GABRA1 (0.46) | GABRA1GABRB2TSHRSLC6A4CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6100293-A | ANTIINFLAMMATORY AGENT EFFECTIVE IN THE PROPHYLAXIS OF ORGAN TRANSPLANT REJECTION; SIDE EFFECT REDUCTION | MERCK & CO., INC. (US) | 2000-08-08 | — | — | US | disclosed |
| US-6051590-A | USEFUL AS POTASSIUM CHANNEL INHIBITORS TO TREAT AUTOIMMUNE DISORDERS | MERCK & CO., INC. (US) | 2000-04-18 | — | — | US | disclosed |
| WO-1999020267-A1 | FURANYL, TETRACYCLIC TRITERPENE DERIVATIVES WITH IMMUNOSUPPRESSANT ACTIVITY | MERCK & CO., INC. (US) | 1999-04-29 | — | — | WO | disclosed |
| WO-1999020274-A1 | TETRACYCLIC TRITERPENE DERIVATIVES WITH IMMUNOSUPPRESSANT ACTIVITY | MERCK & CO., INC. (US) | 1999-04-29 | — | — | WO | disclosed |