Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 3/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1805908 | 0.80 | CNR2 (0.47) | CNR2CNR1MEN1KMT2ACHRM3 | |
| SCHEMBL3918465 | 0.79 | SLC6A3 (0.50) | AKR1C1LMNAHDAC4HTTMEN1 | |
| SCHEMBL9330906 | 0.79 | AKR1C1 (0.50) | AKR1C1LMNAHDAC4HTTCHRM3 | |
| SCHEMBL10526589 | 0.76 | AKR1C1 (0.47) | AKR1C1LMNAHDAC4HTT | |
| SCHEMBL3556347 | 0.75 | MAOB (0.44) | AKR1C1LMNAHTTSLC6A2SLC6A4 | |
| SCHEMBL7754262 | 0.75 | SIGMAR1 (0.41) | SLC6A2SLC6A4 | |
| SCHEMBL10432677 | 0.74 | AKR1C1 (0.45) | AKR1C1LMNAHDAC4HTTMEN1 | |
| SCHEMBL28838197 | 0.74 | AKR1C1 (0.45) | AKR1C1SLC6A2SLC6A4 | |
| SCHEMBL9330568 | 0.73 | AKR1C1 (0.47) | AKR1C1LMNAHTT | |
| SCHEMBL28268515 | 0.72 | MAOB (0.49) | AKR1C1LMNAHDAC4HTTHSD11B1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5037575-A | Photostability | MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) | 1991-08-06 | — | — | US | disclosed |
| EP-0187015-B1 | SQUARILIUM COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME | MITSUBISHI KASEI CORPORATION (JP) | 1991-05-29 | — | — | EP | disclosed |
| US-4925590-A | Derivatives of 4-cyano-2,3-difluorophenol | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1990-05-15 | — | — | US | disclosed |
| EP-0187015-A2 | Squarilium compound and liquid crystal composition containing the same | MITSUBISHI KASEI CORPORATION (JP) | 1986-07-09 | — | — | EP | disclosed |