Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.86 |
| ▸ | TSHR | P16473 | 6/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.68 |
| ▸ | RHOA | P61586 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | LIG1 | P18858 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL20838538 | 0.93 | CYP3A4 (0.92) | CYP3A4TSHRALDH1A1HSD17B10RHOA | |
| SCHEMBL27474785 | 0.93 | CYP3A4 (1.00) | CYP3A4TSHRALDH1A1HSD17B10RHOA | |
| SCHEMBL16371573 | 0.93 | CYP3A4 (1.00) | CYP3A4TSHRALDH1A1HSD17B10RHOA | |
| SCHEMBL29362146 | 0.93 | CYP3A4 (1.00) | CYP3A4TSHRALDH1A1HSD17B10RHOA | |
| SCHEMBL15174 | 0.93 | CYP3A4 (1.00) | CYP3A4TSHRALDH1A1HSD17B10RHOA | |
| Naphthalene SCHEMBL28123358 | 0.91 | CYP3A4 (0.89) | CYP3A4TSHRALDH1A1HSD17B10RHOA | |
| Benzene SCHEMBL10538286 | 0.91 | CYP3A4 (0.89) | CYP3A4TSHRALDH1A1HSD17B10RHOA | |
| SCHEMBL11394446 | 0.91 | CYP3A4 (0.96) | CYP3A4TSHRALDH1A1HSD17B10RHOA | |
| SCHEMBL11394440 | 0.91 | CYP3A4 (0.96) | CYP3A4TSHRALDH1A1HSD17B10RHOA | |
| Ethylene SCHEMBL11883084 | 0.91 | CYP3A4 (0.96) | CYP3A4TSHRALDH1A1HSD17B10RHOA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106188929-A | A kind of modified hydrotalcite and preparation method thereof and its application in polrvinyl chloride is processed | 河北精信化工集团有限公司 | 2016-12-07 | — | — | CN | disclosed |
| CN-104204869-B | Molding material for lamp reflector and molded article | 日本复合材料株式会社 | 2016-09-07 | — | — | CN | disclosed |
| US-4798869-A | POLYMERS/SHELL-CORE/, HIGH IMPACT, TRANSPARENT | HUELS AKTIENGESELLSCHAFT (DE) | 1989-01-17 | — | — | US | disclosed |