Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | NOS1 | P29475 | 3/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Biguanide SCHEMBL28966784 | 0.81 | NOS1 (0.55) | ALDH1A1NOS1GRIN1GRIN2BKDM4E | |
| SCHEMBL5429604 | 0.79 | HDAC2 (0.59) | ALDH1A1KDM4EKEAP1HDAC2HDAC8 | |
| SCHEMBL17936356 | 0.75 | NOS1 (0.50) | NOS1HDAC2HDAC8HDAC6HDAC1 | |
| SCHEMBL8994973 | 0.75 | ALDH1A1 (0.57) | ALDH1A1KDM4EKEAP1HDAC2HDAC8 | |
| SCHEMBL7520872 | 0.74 | ALDH1A1 (0.61) | ALDH1A1NOS1GRIN1GRIN2BKDM4E | |
| SCHEMBL1891210 | 0.74 | NOS1 (0.57) | ALDH1A1NOS1GRIN1GRIN2BKEAP1 | |
| Hydrochloric Acid SCHEMBL2338709 | 0.72 | NOS1 (0.55) | ALDH1A1NOS1GRIN1GRIN2BKEAP1 | |
| Biguanide SCHEMBL29184401 | 0.72 | KCNH2 (0.53) | ALDH1A1NOS1KDM4E | |
| SCHEMBL16935692 | 0.71 | GRIN2D (0.46) | ALDH1A1GRIN1GRIN2BIDO1MAPT | |
| Phenformin SCHEMBL8424 | 0.71 | NPC1 (0.52) | ALDH1A1NOS1KDM4EIDO1MAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1179529-A1 | NOVEL HYDROXAMIC ACID DERIVATIVES | Daiichi Fine Chemical Co., Ltd. (JP) | 2002-02-13 | — | — | EP | claimed |
| EP-1038864-A1 | NOVEL METALLOPROTEINASE INHIBITORS | FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) | 2000-09-27 | — | — | EP | claimed |
| EP-1179529-A1 | NOVEL HYDROXAMIC ACID DERIVATIVES | Daiichi Fine Chemical Co., Ltd. (JP) | 2002-02-13 | — | — | EP | disclosed |
| EP-1101492-A1 | NOVEL REMEDIES FOR ALLERGIC DISEASES | FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) | 2001-05-23 | — | — | EP | disclosed |
| EP-1038864-A1 | NOVEL METALLOPROTEINASE INHIBITORS | FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) | 2000-09-27 | — | — | EP | disclosed |