Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 7/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.43 |
| ▸ | KIF11 | P52732 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TYR | P14679 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | GMNN | O75496 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10983672 | 0.77 | ALDH1A1 (0.52) | KIF11LMNAKDM4ENPC1ALDH1A1 | |
| SCHEMBL7529612 | 0.77 | — | — | |
| SCHEMBL23522669 | 0.76 | MAPT (0.39) | KIF11HSD17B10LMNAHPGDALDH1A1 | |
| SCHEMBL2494965 | 0.75 | CA12 (0.41) | KIF11CYP3A4HSD17B10CA2LMNA | |
| Hydrochloric Acid SCHEMBL27941508 | 0.73 | MAPT (0.36) | HSD17B10HPGDALDH1A1MAPTTSHR | |
| SCHEMBL583468 | 0.72 | NR1H2 (0.55) | NR1H2ESR1ESR2CYP3A4HSD17B10 | |
| SCHEMBL5919663 | 0.71 | — | — | |
| SCHEMBL518852 | 0.69 | ALDH1A1 (0.58) | NR1H2ESR1ESR2KIF11CYP3A4 | |
| SCHEMBL2303871 | 0.69 | NR1H2 (0.50) | NR1H2ESR1ESR2CYP3A4HSD17B10 | |
| SCHEMBL7938064 | 0.68 | NR1H2 (0.56) | NR1H2ESR1ESR2MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1192178-A2 | RUFOMYCINS AND DERIVATIVES THEREOF USEFUL AS INHIBITORS OF MULTI-DRUG RESISTANCE ASSOCIATED PROTEIN-1 (MRP-1) | ELI LILLY AND COMPANY (US) | 2002-04-03 | — | — | EP | claimed |
| WO-2000078795-A2 | RUFOMYCINS AND DERIVATIVES THEREOF USEFUL AS INHIBITORS OF MULTI-DRUG RESISTANCE ASSOCIATED PROTEIN-1 (MRP-1) | ELI LILLY AND COMPANY (US) | 2000-12-28 | — | — | WO | claimed |