Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.42 |
| ▸ | GRM3 | Q14832 | 2/20 | 0.42 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | GRM8 | O00222 | 1/20 | 0.42 |
| ▸ | GRM6 | O15303 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.42 |
| ▸ | PLCB1 | Q9NQ66 | 1/20 | 0.42 |
| ▸ | GABRP | O00591 | 2/20 | 0.41 |
| ▸ | GABRD | O14764 | 2/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18204574 | 1.00 | TSHR (0.42) | TSHRCYP2C19LMNAGRM2GRM3 | |
| SCHEMBL4019338 | 1.00 | TSHR (0.42) | TSHRCYP2C19LMNAGRM2GRM3 | |
| SCHEMBL28710315 | 0.86 | TSHR (0.48) | TSHRCYP2C19LMNAGRM2GRM3 | |
| SCHEMBL19304 | 0.80 | TSHR (0.38) | TSHRCYP2C19LMNAGRM2GRM3 | |
| SCHEMBL4433770 | 0.76 | TSHR (0.42) | TSHRCYP2C19LMNAGRM2GRM3 | |
| SCHEMBL347049 | 0.74 | TSHR (0.41) | TSHRCYP2C19LMNAGRM2GRM3 | |
| SCHEMBL25709731 | 0.74 | CYP2C19 (0.42) | TSHRCYP2C19LMNAGRM2GRM3 | |
| SCHEMBL4442976 | 0.74 | CYP2C19 (0.34) | TSHRCYP2C19LMNAGRM2GRM3 | |
| SCHEMBL8004566 | 0.74 | CYP2C19 (0.52) | TSHRCYP2C19LMNAGRM2GRM3 | |
| SCHEMBL31405359 | 0.73 | TSHR (0.43) | TSHRCYP2C19LMNAGRM2GRM3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3292101-B1 | TRICYCLIC SULFONES AS ROR-GAMMA MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2021-07-28 | — | — | EP | disclosed |
| EP-0270843-B1 | 4-HYDROXY-4-(SUBSTITUTED ALKENYL)-CYCLOHEXANE CARBOXYLIC ACID | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-03-06 | — | — | EP | disclosed |