Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR5A1 | Q13285 | 1/20 | 0.49 |
| ▸ | LTA4H | P09960 | 4/20 | 0.47 |
| ▸ | ACACB | O00763 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL9510195 | 0.98 | NR5A1 (0.51) | NR5A1LTA4HACACBTP53TSHR | |
| SCHEMBL9510187 | 0.98 | NR5A1 (0.51) | NR5A1LTA4HACACBTP53TSHR | |
| SCHEMBL9508919 | 0.98 | NR5A1 (0.51) | NR5A1LTA4HACACBTP53TSHR | |
| SCHEMBL9509479 | 0.97 | ACACB (0.47) | NR5A1LTA4HACACBTSHRL3MBTL1 | |
| SCHEMBL9512274 | 0.90 | ACACB (0.50) | LTA4HACACBL3MBTL1 | |
| SCHEMBL9713057 | 0.88 | ACACB (0.49) | NR5A1LTA4HACACBKDM4EALDH1A1 | |
| SCHEMBL2056145 | 0.88 | LTA4H (0.52) | NR5A1LTA4HTSHRL3MBTL1HDAC3 | |
| SCHEMBL9713683 | 0.87 | ACACB (0.48) | NR5A1ACACBTP53TSHRKDM4E | |
| SCHEMBL9712808 | 0.87 | ACACB (0.48) | NR5A1ACACBTP53TSHRKDM4E | |
| SCHEMBL9712970 | 0.87 | ACACB (0.48) | NR5A1ACACBTP53TSHRKDM4E |
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 | claimed |