Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 8/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | RARA | P10276 | 1/20 | 0.34 |
| ▸ | RARB | P10826 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9508745 | 0.97 | ACACB (0.38) | ACACBCNR2SMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL9512348 | 0.96 | PTPN11 (0.38) | ACACBCYP3A4CYP2D6MCHR1CNR2 | |
| SCHEMBL9509283 | 0.94 | ALDH1A1 (0.37) | ACACBCNR2SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL9509358 | 0.94 | ACACB (0.37) | ACACBMCHR1 | |
| SCHEMBL9508805 | 0.92 | ALDH1A1 (0.39) | ACACBSMN1; SMN2ALDH1A1HPGDTSHR | |
| SCHEMBL10514590 | 0.92 | MAPT (0.37) | ACACBCNR2RARBALDH1A1LMNA | |
| SCHEMBL9509982 | 0.91 | TSHR (0.39) | ACACBCYP3A4CYP2D6MCHR1SMN1; SMN2 | |
| SCHEMBL9511350 | 0.91 | ACACB (0.38) | ACACB | |
| SCHEMBL9512408 | 0.90 | HSD17B10 (0.47) | ACACBCYP3A4RARARARBSMN1; SMN2 | |
| SCHEMBL9509292 | 0.89 | RXRA (0.35) | ACACBMCHR1 |
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 |