Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.57 |
| ▸ | MYC | P01106 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
| ▸ | DHFR | P00374 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MPO | P05164 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14240305 | 0.87 | ALDH1A1 (0.52) | ALDH1A1KDM4EHPGDHSD17B10MYC | |
| SCHEMBL6224766 | 0.86 | ALDH1A1 (0.59) | ALDH1A1KDM4EHPGDHSD17B10MYC | |
| SCHEMBL1559662 | 0.82 | PARP1 (0.46) | ALDH1A1KDM4EHPGDHSD17B10MYC | |
| SCHEMBL27388138 | 0.82 | ALDH1A1 (0.41) | ALDH1A1KDM4EHPGDHSD17B10MYC | |
| SCHEMBL11755514 | 0.82 | AKR1C3 (0.48) | ALDH1A1KDM4EHPGDHSD17B10MYC | |
| SCHEMBL7280214 | 0.81 | CA12 (0.55) | ALDH1A1KDM4EHPGDHSD17B10MYC | |
| SCHEMBL8175044 | 0.80 | ALDH1A1 (0.38) | ALDH1A1KDM4EHPGDHSD17B10MYC | |
| SCHEMBL7364595 | 0.79 | ALDH1A1 (0.52) | ALDH1A1KDM4EHPGDHSD17B10MYC | |
| SCHEMBL19847390 | 0.79 | ALDH1A1 (0.52) | ALDH1A1KDM4EHPGDHSD17B10MYC | |
| SCHEMBL27721378 | 0.79 | NR4A2 (0.47) | ALDH1A1KDM4EHPGDHSD17B10MYC |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105646356-A | Preparation method of sulfophenyl pyrazolone and intermediate thereof | 浙江省诸暨合力化学对外贸易有限公司 | 2016-06-08 | — | — | CN | disclosed |
| CN-102924352-B | Method for synthesizing 4-mercaptobenzoate | BEIJING INSIGHT HIGH TECHNOLOGY CO LTD | 2013-11-20 | — | — | CN | disclosed |
| CN-102924352-A | Method for synthesizing 4-mercaptobenzoate | BEIJING INSIGHT HIGH TECHNOLOGY CO LTD | 2013-02-13 | — | — | CN | disclosed |
| EP-0858444-A4 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1999-12-01 | — | — | EP | disclosed |
| EP-0858444-A1 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 1998-08-19 | — | — | EP | disclosed |
| US-5750549-A | ANTIINFLAMMATORY AGENTS OR ANALGESICS | MERCK & CO., INC. (US) | 1998-05-12 | — | — | US | disclosed |
| WO-1997014671-A1 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1997-04-24 | — | — | WO | disclosed |
| CN-1070400-A | Benzoglyoxaline | FISONS PLC (GB) | 1993-03-31 | — | — | CN | disclosed |