Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 2/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.46 |
| ▸ | PNMT | P11086 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6237597 | 0.81 | CHRM2 (0.47) | CHRM2HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL6244574 | 0.79 | IDO1 (0.44) | IDO1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL6234787 | 0.78 | CHRM2 (0.57) | IDO1CHRM2HTR1AADRA1DADRA1A | |
| SCHEMBL22519835 | 0.78 | TAAR1 (0.59) | IDO1CHRM2HTR1AADRA1DADRA1A | |
| SCHEMBL4706607 | 0.77 | CHRM2 (0.71) | IDO1CHRM2TAAR1PNMTCYP1A2 | |
| SCHEMBL6239315 | 0.76 | TSHR (0.50) | IDO1HTR1AADRA1DADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL4707535 | 0.75 | CHRM2 (0.69) | IDO1CHRM2TAAR1PNMTCYP1A2 | |
| Hydrochloric Acid SCHEMBL4708205 | 0.75 | CHRM2 (0.69) | IDO1CHRM2TAAR1PNMTCYP1A2 | |
| SCHEMBL10458646 | 0.75 | IDO1 (0.53) | IDO1TAAR1PNMTMAOBCYP1A2 | |
| SCHEMBL3774965 | 0.74 | IDO1 (0.67) | IDO1CHRM2TAAR1PNMTMAOB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005011697-A2 | SULFONAMIDE DERIVATIVES WITH ACTIVITY ON PROTEIN KINASE A AND B | ASTEX THERAPEUTICS LIMITED (GB) | 2005-02-10 | — | — | WO | disclosed |