Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 4/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29261888 | 0.85 | HTR6 (0.43) | TAAR1HTR7HTR6CHRM2CHRM4 | |
| SCHEMBL8086115 | 0.71 | MEN1 (0.34) | ALDH1A1HPGDMAPT | |
| SCHEMBL17321585 | 0.68 | ALDH1A1 (0.41) | ALDH1A1TSHRTAAR1CYP1A2CYP2D6 | |
| SCHEMBL8087155 | 0.68 | AKR1B1 (0.42) | ALDH1A1TSHRKDM4E | |
| SCHEMBL323144 | 0.66 | CYP1A2 (0.33) | ALDH1A1TSHRCYP1A2CYP2D6CYP3A4 | |
| SCHEMBL8607208 | 0.63 | PTPN1 (0.36) | ALDH1A1KDM4E | |
| SCHEMBL1132530 | 0.62 | SLC7A5 (0.50) | TSHRCYP1A2CYP3A4KDM4EMAPT | |
| SCHEMBL3096746 | 0.61 | APAF1 (0.33) | ALDH1A1TSHRCYP3A4KDM4EHPGD | |
| SCHEMBL2159745 | 0.61 | IDO1 (0.33) | ALDH1A1TSHRHPGDMAPT | |
| SCHEMBL816040 | 0.61 | ALDH1A1 (0.31) | ALDH1A1MAPT |
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-1991013071-A1 | NOVEL TRISUBSTITUTED PYRROLS, PROCESS FOR THEIR PRODUCTION AND MEDICAMENTS CONTAINING THESE COMPOUNDS | BOEHRINGER MANNHEIM GMBH (DE) | 1991-09-05 | — | — | WO | disclosed |