Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9792272 | 0.96 | MEN1 (0.40) | ALDH1A1RECQLALOX15MAPK1CYP2C19 | |
| SCHEMBL9802154 | 0.81 | KIF11 (0.50) | ALDH1A1ALOX15MAPK1TAAR1KMT2A | |
| SCHEMBL13295223 | 0.80 | CYP2C19 (0.42) | ALDH1A1RECQLALOX15MAPK1CYP2C19 | |
| SCHEMBL9801990 | 0.78 | KIF11 (0.44) | MAPK1CYP2C19TAAR1CYP3A4SMN1; SMN2 | |
| SCHEMBL11497301 | 0.78 | MAPK1 (0.48) | ALDH1A1ALOX15MAPK1CYP2C19HIF1A | |
| SCHEMBL9469014 | 0.78 | SMN1; SMN2 (0.55) | ALDH1A1RECQLMAPK1KMT2AMEN1 | |
| SCHEMBL10040057 | 0.78 | CYP2C19 (0.40) | ALDH1A1RECQLALOX15MAPK1CYP2C19 | |
| Di(Hydroxyethyl)Ether SCHEMBL11299876 | 0.77 | ALDH1A1 (0.50) | ALDH1A1RECQLALOX15MAPK1CYP2C19 | |
| SCHEMBL5906803 | 0.74 | MAPK1 (0.48) | ALDH1A1ALOX15MAPK1CYP2C19HIF1A | |
| SCHEMBL11299878 | 0.74 | ALDH1A1 (0.47) | ALDH1A1RECQLALOX15MAPK1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0944661-A1 | INNER PARTING AGENTS FOR PRODUCING SELF-PARTING MOULDINGS MADE OF POLYISOCYANATE POLYADDITION PRODUCTS | BASF AKTIENGESELLSCHAFT (DE) | 1999-09-29 | — | — | EP | disclosed |
| WO-1998025985-A1 | INNER PARTING AGENTS FOR PRODUCING SELF-PARTING MOULDINGS MADE OF POLYISOCYANATE POLYADDITION PRODUCTS | BASF AKTIENGESELLSCHAFT (DE) | 1998-06-18 | — | — | WO | disclosed |