Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 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 | |
|---|---|---|---|---|
| SCHEMBL6186162 | 0.87 | FFAR1 (0.46) | TDP1ALDH1A1TSHRIDO1TAAR1 | |
| SCHEMBL3438751 | 0.86 | IDO1 (0.57) | TDP1IDO1HTR2AMAOA | |
| SCHEMBL198134 | 0.85 | TSHR (0.52) | TDP1ALDH1A1TSHRCA1CA2 | |
| SCHEMBL1179386 | 0.84 | TDP1 (0.58) | TDP1ALDH1A1TSHRTRPA1CA1 | |
| SCHEMBL9260474 | 0.79 | TDP1 (0.52) | TDP1ALDH1A1TSHRTRPA1CA1 | |
| Biphenyl SCHEMBL9113497 | 0.78 | CA1 (0.47) | TDP1ALDH1A1TSHRCA1CA2 | |
| SCHEMBL12815699 | 0.78 | CA1 (0.47) | TDP1ALDH1A1TSHRCA1CA2 | |
| SCHEMBL1066576 | 0.78 | TSHR (0.67) | TDP1ALDH1A1TSHRCA1CA2 | |
| SCHEMBL29240600 | 0.77 | CA1 (0.47) | TDP1ALDH1A1TSHRCA1CA2 | |
| SCHEMBL9262163 | 0.77 | TDP1 (0.50) | TDP1CA1CA2CA9IDO1 |
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-1723159-A2 | MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | Rib-X Pharmaceuticals, Inc. (US) | 2006-11-22 | — | — | EP | disclosed |
| WO-2005085266-A2 | MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | RIB-X PHARMACEUTICALS, INC. (US) | 2005-09-15 | — | — | WO | disclosed |