Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.56 |
| ▸ | RAB9A | P51151 | 5/20 | 0.56 |
| ▸ | NPC1 | O15118 | 4/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | PKM | P14618 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | SNCA | P37840 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | PPARA | Q07869 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5604917 | 0.90 | NPC1 (0.69) | MEN1KMT2ASMN1; SMN2RAB9ANPC1 | |
| SCHEMBL9576387 | 0.86 | CYP3A4 (0.58) | MEN1KMT2AALDH1A1MAPK1SNCA | |
| SCHEMBL157805 | 0.83 | CYP3A4 (0.61) | MEN1KMT2ARAB9ANPC1ALDH1A1 | |
| SCHEMBL16372021 | 0.83 | CYP3A4 (0.61) | MEN1KMT2ARAB9ANPC1ALDH1A1 | |
| SCHEMBL31680576 | 0.82 | RAB9A (0.81) | MEN1KMT2ASMN1; SMN2RAB9ANPC1 | |
| Isophthalic Acid SCHEMBL28712224 | 0.82 | CYP3A4 (0.53) | MEN1KMT2ASMN1; SMN2RAB9ANPC1 | |
| Benzene SCHEMBL29140663 | 0.81 | CYP3A4 (0.59) | MEN1KMT2ASMN1; SMN2RAB9ANPC1 | |
| SCHEMBL175786 | 0.79 | SNCA (0.67) | MEN1KMT2ATP53ALDH1A1HPGD | |
| SCHEMBL8458134 | 0.79 | CYP26A1 (0.65) | MEN1KMT2ASMN1; SMN2RAB9ANPC1 | |
| SCHEMBL27479617 | 0.79 | CYP3A4 (0.53) | MEN1KMT2ASMN1; SMN2RAB9ATP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-20200181317-A1 | Bisphenol A-Free Crosslinked Polymer Composition | WARNER BABCOCK INSTITUTE FOR GREEN CHEMISTRY, LLC (US) | 2020-06-11 | — | — | US | disclosed |