Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8137388 | 1.00 | TSHR (0.45) | TSHRGABRA1GABRB2TRPA1HTT | |
| SCHEMBL3627333 | 0.83 | TSHR (0.59) | TSHRGABRA1GABRB2HTTCYP3A4 | |
| SCHEMBL3043989 | 0.82 | TSHR (0.50) | TSHRGABRA1GABRB2TRPA1GABRG2 | |
| SCHEMBL18887557 | 0.79 | TSHR (0.41) | TSHRGABRA1GABRB2HTTCYP3A4 | |
| SCHEMBL6207216 | 0.79 | GABRA1 (0.41) | TSHRGABRA1GABRB2HTTCYP3A4 | |
| SCHEMBL23075000 | 0.79 | TAAR1 (0.48) | TSHRGABRA1GABRB2HTTCYP3A4 | |
| SCHEMBL8137281 | 0.79 | GABRA1 (0.41) | TSHRGABRA1GABRB2HTTCYP3A4 | |
| SCHEMBL9722014 | 0.79 | TSHR (0.41) | TSHRGABRA1GABRB2HTTCYP3A4 | |
| SCHEMBL8137283 | 0.79 | GABRA1 (0.41) | TSHRGABRA1GABRB2HTTCYP3A4 | |
| SCHEMBL12811859 | 0.79 | TSHR (0.41) | TSHRGABRA1GABRB2HTTCYP3A4 |
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 5 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-6083980-A | 3B,7,9A-TRIMETHYL-1,3,3A,3B,4,5,5A,6,9,9A,9B,10,11,11A-TETRADE CAHYDRO PHENANTHRO(1,2-C)FURAN DERIVATIVE USED AS IMMUNOSUPPRESSANT TO PREVENT GRAFTING REJECTION | MERCK & CO., INC. (US) | 2000-07-04 | — | — | 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 |