Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | HPGD | P15428 | 3/20 | 0.62 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.54 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MITF | O75030 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28042038 | 0.95 | ALDH1A1 (0.63) | ALDH1A1HPGDCYP19A1TRPM8NPSR1 | |
| SCHEMBL12619001 | 0.95 | ALDH1A1 (0.57) | ALDH1A1HPGDCYP19A1TRPM8NPSR1 | |
| SCHEMBL31297757 | 0.95 | ALDH1A1 (0.63) | ALDH1A1HPGDCYP19A1TRPM8NPSR1 | |
| SCHEMBL1862739 | 0.90 | ALDH1A1 (0.60) | ALDH1A1HPGDCYP19A1NPSR1KDM4E | |
| SCHEMBL31307177 | 0.89 | ALDH1A1 (0.59) | ALDH1A1HPGDCYP19A1NPSR1KDM4E | |
| SCHEMBL27219386 | 0.89 | ALDH1A1 (0.59) | ALDH1A1HPGDCYP19A1NPSR1KDM4E | |
| SCHEMBL10672814 | 0.89 | ALDH1A1 (0.66) | ALDH1A1HPGDCYP19A1NPSR1KDM4E | |
| SCHEMBL27219389 | 0.89 | ALDH1A1 (0.59) | ALDH1A1HPGDCYP19A1NPSR1KDM4E | |
| Menthyl Benzoate SCHEMBL3885473 | 0.89 | ALDH1A1 (0.69) | ALDH1A1HPGDCYP19A1TRPM8NPSR1 | |
| Menthyl Benzoate SCHEMBL18708099 | 0.89 | ALDH1A1 (0.69) | ALDH1A1HPGDCYP19A1TRPM8NPSR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0386198-B1 | THERMOCHROMIC MIXTURES | MERCK PATENT GmbH (DE) | 1993-10-13 | — | — | EP | disclosed |
| US-5188815-A | Liquid crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-02-23 | — | — | US | disclosed |
| WO-1990002161-A1 | THERMOCHROMIC MIXTURES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-03-08 | — | — | WO | disclosed |