Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY6 | Q15077 | 3/20 | 0.50 |
| ▸ | MIF | P14174 | 3/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | RAD1 | O60671 | 1/20 | 0.36 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LTA | P01374 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.33 |
| ▸ | RAD51 | Q06609 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17289568 | 0.81 | MIF (0.54) | P2RY6MIFCA1CA2HSD17B10 | |
| Bitoscanate SCHEMBL157128 | 0.80 | MIF (0.72) | P2RY6MIFCA1CA2HSD17B10 | |
| SCHEMBL25270876 | 0.77 | P2RY6 (0.50) | P2RY6MIFCA1CA2HSD17B10 | |
| SCHEMBL6436580 | 0.77 | CYP3A4 (0.50) | CYP3A4TDP1NOS3NOS1 | |
| SCHEMBL1022395 | 0.77 | MIF (0.50) | P2RY6MIFCA1CA2HSD17B10 | |
| SCHEMBL6664156 | 0.77 | MIF (0.50) | P2RY6MIFCA1CA2HSD17B10 | |
| SCHEMBL3903225 | 0.74 | P2RY6 (0.47) | P2RY6MIFCA1CA2HSD17B10 | |
| SCHEMBL457107 | 0.73 | MIF (0.56) | P2RY6MIFCA1CA2HSD17B10 | |
| SCHEMBL9840371 | 0.72 | MIF (0.62) | P2RY6MIFCA1CA2HSD17B10 | |
| SCHEMBL6704446 | 0.72 | P2RY6 (0.41) | P2RY6MIFCA1CA2HSD17B10 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115466271-B | Hexacyclolycorine derivative, pharmaceutical composition thereof, and preparation method and application thereof | 中国医学科学院药物研究所 | 2023-09-26 | — | — | CN | disclosed |
| EP-1126833-A4 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES INC (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | disclosed |