Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
| ▸ | CTSK | P43235 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7219540 | 0.84 | L3MBTL1 (0.40) | ALDH1A1MAPTCYP2C19LMNAHTT | |
| SCHEMBL7216025 | 0.82 | ALDH1A1 (0.42) | ALDH1A1RECQLMAPTLMNAL3MBTL1 | |
| SCHEMBL11501501 | 0.76 | HDAC3 (0.43) | ALDH1A1RECQLCTSSCTSKMAPT | |
| SCHEMBL27803999 | 0.75 | HDAC3 (0.42) | ALDH1A1RECQLCTSSCTSKMAPT | |
| SCHEMBL25009808 | 0.74 | RECQL (0.44) | ALDH1A1RECQLMAPTCYP3A4KCNN4 | |
| SCHEMBL9613930 | 0.74 | RECQL (0.44) | ALDH1A1RECQLMAPTCYP3A4KCNN4 | |
| SCHEMBL29393902 | 0.73 | NAPRT (0.44) | ALDH1A1RECQLMAPTKCNN4CYP2C19 | |
| SCHEMBL28685723 | 0.73 | NAPRT (0.44) | ALDH1A1RECQLMAPTKCNN4CYP2C19 | |
| SCHEMBL7215823 | 0.72 | ALDH1A1 (0.50) | ALDH1A1RECQLCTSSCTSKMAPT | |
| SCHEMBL9829583 | 0.71 | CXCR2 (0.42) | ALDH1A1RECQLMAPTCYP2D6CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6504046-B1 | Cyclization of nitriles using acids, to form oxazolinone chemical intermediates such as 2-phenyl-4-isopropyl-4-methyl-1,3-oxazol-5-one, used as fungicides | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2003-01-07 | — | — | US | disclosed |
| EP-1092705-A1 | PROCESS FOR THE PREPARATION OF AMIDES | IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) | 2001-04-18 | — | — | EP | disclosed |