Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAM17 | P78536 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.32 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.32 |
| ▸ | ITGAL | P20701 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7219255 | 0.85 | ELANE (0.40) | ALDH1A1 | |
| SCHEMBL7272506 | 0.85 | ELANE (0.40) | ALDH1A1 | |
| SCHEMBL7220662 | 0.82 | NPSR1 (0.41) | MAPTLMNAALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL8209492 | 0.72 | CTSD (0.37) | MAPTLMNATDP1ALDH1A1RECQL | |
| SCHEMBL11268643 | 0.69 | ALDH1A1 (0.40) | MAPTALDH1A1SMN1; SMN2HPGDKDM4E | |
| SCHEMBL19239774 | 0.68 | RAB9A (0.36) | ADAM17MAPTALDH1A1SMN1; SMN2TP53 | |
| SCHEMBL7219874 | 0.63 | KMT2A (0.34) | MAPTLMNAALDH1A1MEN1MAPK1 | |
| SCHEMBL7213677 | 0.62 | GRM2 (0.38) | ADAM17LMNACAPN1ALDH1A1POLB | |
| SCHEMBL29003556 | 0.62 | ADAM17 (0.37) | ADAM17ALDH1A1ITGB2ICAM1ITGAL | |
| SCHEMBL8627083 | 0.61 | — | — |
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 |