Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27962082 | 0.81 | TAAR1 (0.56) | IDO1TAAR1CHRM2CHRM1LMNA | |
| SCHEMBL808941 | 0.81 | IDO1 (0.50) | IDO1TAAR1CHRM2CHRM1LMNA | |
| SCHEMBL2951310 | 0.81 | IDO1 (0.50) | IDO1TAAR1CHRM2CHRM1LMNA | |
| SCHEMBL20512081 | 0.81 | PTGS2 (0.46) | LMNAALDH1A1RIPK1HPGD | |
| SCHEMBL74595 | 0.80 | RIPK1 (0.63) | IDO1TAAR1CHRM2CHRM1LMNA | |
| Hydrochloric Acid SCHEMBL20746230 | 0.80 | TAAR1 (0.55) | IDO1TAAR1CHRM2CHRM1LMNA | |
| SCHEMBL20512118 | 0.80 | ELANE (0.54) | LMNAMAPTRIPK1 | |
| SCHEMBL6268891 | 0.79 | KDM4E (0.48) | LMNASMN1; SMN2ALDH1A1GAAMAPT | |
| SCHEMBL20782032 | 0.77 | RIPK1 (0.47) | IDO1TAAR1CHRM2CHRM1ALDH1A1 | |
| SCHEMBL20428030 | 0.77 | IDO1 (0.50) | IDO1TAAR1CHRM2CHRM1LMNA |
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-2005100301-A1 | 2-ARYLOXYETHYL GLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS | ELI LILLY AND COMPANY (US) | 2005-10-27 | — | — | WO | disclosed |