Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.64 |
| ▸ | CA2 | P00918 | 1/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.58 |
| ▸ | ATM | Q13315 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | FOS | P01100 | 1/20 | 0.51 |
| ▸ | TTR | P02766 | 1/20 | 0.51 |
| ▸ | JUN | P05412 | 1/20 | 0.51 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.51 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.51 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | PPARG | P37231 | 1/20 | 0.50 |
| ▸ | PPARD | Q03181 | 1/20 | 0.50 |
| ▸ | PPARA | Q07869 | 1/20 | 0.50 |
| ▸ | KDM1A | O60341 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | STAT3 | P40763 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL24497200 | 0.90 | LDHA (0.53) | LDHACA2ALOX15ALOX12ATM | |
| SCHEMBL20630774 | 0.85 | LDHA (0.60) | LDHACA2ALOX15ALOX12ATM | |
| SCHEMBL20630986 | 0.85 | LDHA (0.60) | LDHACA2ALOX15ALOX12ATM | |
| Terameprocol SCHEMBL30094578 | 0.84 | ALOX15 (0.77) | LDHACA2ALOX15ALOX12ATM | |
| SCHEMBL806723 | 0.84 | CA2 (0.63) | LDHACA2ALOX15ALOX12ATM | |
| Terameprocol SCHEMBL194588 | 0.84 | ALOX15 (0.77) | LDHACA2ALOX15ALOX12ATM | |
| Terameprocol SCHEMBL29794162 | 0.84 | ALOX15 (0.77) | LDHACA2ALOX15ALOX12ATM | |
| Terameprocol SCHEMBL2356280 | 0.84 | ALOX15 (0.77) | LDHACA2ALOX15ALOX12ATM | |
| Terameprocol SCHEMBL10060164 | 0.84 | ALOX15 (0.77) | LDHACA2ALOX15ALOX12ATM | |
| SCHEMBL31643245 | 0.82 | LDHA (0.57) | LDHACA2ALOX15ALOX12FOS |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003082786-A1 | A PROCESS FOR THE PREPARATION OF PHARMACOLOGICALLY ACTIVE ALPHA-ASARONE FROM TOXIC BETA-ASARONE RICH ACORUS CALAMUS OIL | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2003-10-09 | — | — | WO | claimed |
| US-6590127-B1 | Formation of alpha-asarone, isoacoramone and 2,4,5-trimethoxycinnamaldehyde in one step process via 2,3-dichloro-5,6-dicyano-1,4-benzoquinone assisted dehydrogenation/oxidation of 2,4,5-trimethoxyphenylpropane | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2003-07-08 | — | — | US | claimed |