Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | USP2 | O75604 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | CASP1 | P29466 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.59 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.59 |
| ▸ | ACACB | O00763 | 5/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | THRA | P10827 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.45 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.45 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9509398 | 1.00 | ALDH1A1 (0.59) | ALDH1A1LMNACYP3A4MEN1USP2 | |
| SCHEMBL9510184 | 0.98 | MEN1 (0.57) | ALDH1A1LMNACYP3A4MEN1USP2 | |
| SCHEMBL9509003 | 0.94 | LMNA (0.51) | ALDH1A1LMNACYP3A4MEN1USP2 | |
| SCHEMBL9610966 | 0.92 | ALDH1A1 (0.68) | ALDH1A1LMNACYP3A4MEN1USP2 | |
| SCHEMBL9333474 | 0.91 | MEN1 (0.61) | ALDH1A1LMNACYP3A4MEN1USP2 | |
| SCHEMBL9514290 | 0.91 | MEN1 (0.60) | ALDH1A1LMNACYP3A4MEN1USP2 | |
| SCHEMBL14926642 | 0.89 | NR5A1 (0.56) | ALDH1A1LMNAACACBHSD17B10TSHR | |
| SCHEMBL28975665 | 0.88 | ALDH1A1 (0.76) | ALDH1A1LMNACYP3A4MEN1USP2 | |
| SCHEMBL4067111 | 0.88 | ALDH1A1 (0.76) | ALDH1A1LMNACYP3A4MEN1USP2 | |
| SCHEMBL10512102 | 0.88 | MEN1 (0.48) | ALDH1A1LMNACYP3A4MEN1USP2 |
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-0308438-B1 | LIQUID CRYSTAL PHASE CONTAINING TOLANES | MERCK PATENT GmbH (DE) | 1993-09-29 | — | — | EP | claimed |
| EP-0308438-B1 | LIQUID CRYSTAL PHASE CONTAINING TOLANES | MERCK PATENT GmbH (DE) | 1993-09-29 | — | — | EP | disclosed |