Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 12/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9508858 | 0.97 | ACACB (0.37) | ACACBSMN1; SMN2ALDH1A1LMNAMAPT | |
| SCHEMBL9509283 | 0.96 | ALDH1A1 (0.37) | ACACBSMN1; SMN2ALDH1A1MAPTHPGD | |
| SCHEMBL9508805 | 0.95 | ALDH1A1 (0.39) | ACACBSMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL9512348 | 0.94 | PTPN11 (0.38) | ACACBSMN1; SMN2ALDH1A1MAPTHPGD | |
| SCHEMBL9511350 | 0.93 | ACACB (0.38) | ACACBCYP2A6 | |
| SCHEMBL9510175 | 0.91 | ACACB (0.39) | ACACBSMN1; SMN2ALDH1A1GLA | |
| SCHEMBL9508718 | 0.91 | ACACB (0.39) | ACACBSMN1; SMN2ALDH1A1LMNAMAPT | |
| SCHEMBL9509358 | 0.91 | ACACB (0.37) | ACACBCYP2A6 | |
| SCHEMBL9509369 | 0.90 | TSHR (0.43) | ACACBSMN1; SMN2ALDH1A1LMNAMAPT | |
| SCHEMBL10514590 | 0.89 | MAPT (0.37) | ACACBALDH1A1LMNAMAPTHPGD |
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 |