Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 10/20 | 0.39 |
| ▸ | MEN1 | O00255 | 9/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 9/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.35 |
| ▸ | CASP3 | P42574 | 2/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | BCR | P11274 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4740832 | 0.79 | MAPT (0.47) | MAPTCYP1A2CYP3A4TSHRALDH1A1 | |
| SCHEMBL20356051 | 0.75 | CYP1A2 (0.58) | KMT2AMEN1MAPTCYP1A2ESR1 | |
| SCHEMBL12054411 | 0.75 | CYP1A2 (0.58) | KMT2AMEN1MAPTCYP1A2ESR1 | |
| SCHEMBL12054413 | 0.75 | CYP1A2 (0.58) | KMT2AMEN1MAPTCYP1A2ESR1 | |
| SCHEMBL4394831 | 0.72 | HSP90AA1 (0.46) | KMT2AMEN1 | |
| SCHEMBL10014247 | 0.71 | ESR1 (0.57) | KMT2AMEN1CYP1A2ESR1ESR2 | |
| SCHEMBL3028362 | 0.69 | SOS1 (0.34) | KMT2AMEN1KDM4EALDH1A1GAA | |
| SCHEMBL23386082 | 0.69 | ESR1 (0.62) | KMT2AMEN1CYP1A2ESR1ESR2 | |
| SCHEMBL5737660 | 0.69 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL194608 | 0.69 | LTA4H (0.42) | KMT2AMAPTTSHRKDM4EGLA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009118747-A1 | NOVEL HYDROXY FUNCTIONALIZED 1, 2, 4-TRIOXANES AS ANTIMALARIAL AGENTS AND A PROCESS FOR THE PREPARATION THEREOF | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2009-10-01 | — | — | WO | disclosed |