Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.48 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.48 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| Phenol SCHEMBL8106788 | 0.98 | SMPD3 (0.49) | SMPD3CYP3A4CYP2C9HSD17B1HSD17B2 | |
| SCHEMBL31124 | 0.89 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL1062982 | 0.86 | LTA4H (0.57) | SMPD3CYP3A4CYP2C9CYP2E1CYP2A6 | |
| Methyl Alcohol SCHEMBL11268332 | 0.86 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| Ammonia Solution, Strong SCHEMBL28465317 | 0.86 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| Hydrogen Sulfide SCHEMBL27668457 | 0.86 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL30163538 | 0.86 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| Hydrochloric Acid SCHEMBL27688178 | 0.86 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| Hydrochloric Acid SCHEMBL8091091 | 0.86 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL1029511 | 0.85 | HSD17B1 (0.61) | CYP3A4CYP2C9HSD17B1HSD17B2MAPT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106399414-A | Method for preparing thiophen benzoic acid by adopting microbes | 青岛科技大学 | 2017-02-15 | — | — | CN | claimed |
| CN-106399414-A | Method for preparing thiophen benzoic acid by adopting microbes | 青岛科技大学 | 2017-02-15 | — | — | CN | disclosed |
| CN-101550058-B | Method for refining overcharging additive biphenyl of lithium ion battery | TIANJIN JINNIU POWER SOURCES MATERIAL CO LTD | 2013-06-05 | — | — | CN | disclosed |
| CN-101220058-B | Chirality and non-chirality PCN pincerlike palladium compound, synthesizing method and uses | UNIV ZHENGZHOU | 2012-01-25 | — | — | CN | disclosed |
| CN-101550058-A | Method for refining overcharging additive biphenyl of lithium ion battery | TIANJIN JINNIU POWER SOURCES M (CN) | 2009-10-07 | — | — | CN | disclosed |
| CN-101220058-A | Chirality and non-chirality PCN pincerlike palladium compound, synthesizing method and uses | UNIV ZHENGZHOU (CN) | 2008-07-16 | — | — | CN | disclosed |
| US-5037991-A | Insecticides | SANDOZ LTD. (CH) | 1991-08-06 | — | — | US | disclosed |