Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | TDO2 | P48775 | 1/20 | 0.43 |
| ▸ | TTR | P02766 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALPL | P05186 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6964344 | 1.00 | IDO1 (0.43) | IDO1TDO2TTRDPP4PTPN1 | |
| SCHEMBL14016232 | 0.84 | ESR1 (0.43) | TTRDPP4CA12CA1CA2 | |
| SCHEMBL6965215 | 0.83 | CYP2A6 (0.47) | TTRDPP4CA12CA1CA2 | |
| SCHEMBL6965217 | 0.83 | CYP2A6 (0.47) | TTRDPP4CA12CA1CA2 | |
| SCHEMBL9540314 | 0.78 | FDPS (0.50) | TTRDPP4CYP3A4HSD17B1HSD17B2 | |
| SCHEMBL29427194 | 0.77 | TP53 (0.50) | MAPTALDH1A1NPC1HPGDRAB9A | |
| SCHEMBL29709927 | 0.77 | TTR (0.43) | TTRDPP4CA12CA1CA2 | |
| SCHEMBL6965431 | 0.77 | MAPT (0.44) | TTRDPP4PTPN1CA12CA1 | |
| SCHEMBL6965434 | 0.77 | MAPT (0.44) | TTRDPP4PTPN1CA12CA1 | |
| SCHEMBL2325697 | 0.76 | CYP3A4 (0.51) | IDO1TDO2TTRDPP4CA12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0974584-B1 | FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-01-15 | — | — | EP | disclosed |
| US-6420375-B1 | ANTITUMOR | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-07-16 | — | — | US | disclosed |
| EP-0974584-A1 | FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2000-01-26 | — | — | EP | disclosed |