Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ACACB | O00763 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | RARB | P10826 | 2/20 | 0.38 |
| ▸ | RARA | P10276 | 1/20 | 0.38 |
| ▸ | RARG | P13631 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL12736440 | 0.95 | ACACB (0.43) | HSD17B10ACACBNPC1RAB9ATP53 | |
| SCHEMBL7861686 | 0.95 | ACACB (0.43) | HSD17B10ACACBNPC1RAB9ATP53 | |
| SCHEMBL9510206 | 0.91 | TSHR (0.49) | HSD17B10TSHRGRM5RARBRARA | |
| SCHEMBL8766258 | 0.90 | CYP17A1 (0.37) | HSD17B10TSHRACACBNPC1RAB9A | |
| SCHEMBL9509053 | 0.89 | HSD17B10 (0.55) | HSD17B10TSHRTP53RARBRARA | |
| SCHEMBL14228880 | 0.87 | GRM5 (0.41) | HSD17B10ACACBNPC1RAB9ATP53 | |
| SCHEMBL9508806 | 0.87 | GRM5 (0.41) | ACACBGRM5CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL9472502 | 0.86 | ACACB (0.38) | HSD17B10TSHRACACBNPC1RAB9A | |
| SCHEMBL21196905 | 0.85 | FFAR1 (0.43) | HSD17B10TSHRACACBNPC1RAB9A | |
| SCHEMBL9514357 | 0.85 | CYP17A1 (0.48) | ACACBCYP17A1FFAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0308438-B1 | LIQUID CRYSTAL PHASE CONTAINING TOLANES | MERCK PATENT GmbH (DE) | 1993-09-29 | — | — | EP | disclosed |