Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | RXRB | P28702 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9824854 | 0.82 | TSHR (0.54) | IDO1TACR1CA1CA2CA7 | |
| SCHEMBL9706723 | 0.78 | ALDH1A1 (0.51) | RXRARXRBALDH1A1 | |
| SCHEMBL649020 | 0.76 | IDO1 (0.64) | IDO1APPMAOBRXRARXRB | |
| SCHEMBL9342895 | 0.76 | IDO1 (0.64) | IDO1APPMAOBRXRARXRB | |
| SCHEMBL10857758 | 0.74 | IDO1 (0.56) | IDO1APPMAOBRXRARXRB | |
| SCHEMBL134086 | 0.74 | IDO1 (0.61) | IDO1APPMAOBRXRARXRB | |
| SCHEMBL2405469 | 0.73 | IDO1 (0.45) | IDO1APPMAOBCA1CA2 | |
| SCHEMBL2405472 | 0.73 | IDO1 (0.45) | IDO1APPMAOBCA1CA2 | |
| SCHEMBL21578433 | 0.72 | IDO1 (0.58) | IDO1APPMAOBRXRARXRB | |
| SCHEMBL9342149 | 0.72 | IDO1 (0.58) | IDO1APPMAOBRXRARXRB |
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-1992016520-A1 | MACROCYCLIC THIOETHER LIGANDS AND THEIR USE AS INTERMEDIATES FOR BINDING IONS TO SUBSTRATES | BRITISH TECHNOLOGY GROUP LTD (GB) | 1992-10-01 | — | — | WO | disclosed |