Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | FNTA | P49354 | 1/20 | 0.38 |
| ▸ | FNTB | P49356 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11034643 | 1.00 | CES1 (0.44) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL523309 | 0.81 | CES1 (0.48) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL11857135 | 0.80 | CES1 (0.43) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL27522721 | 0.79 | CES1 (0.46) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL6155435 | 0.79 | CES1 (0.46) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL3937723 | 0.79 | CES1 (0.46) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL22375194 | 0.78 | ALDH1A1 (0.55) | KMT2AHDAC8HDAC6ALDH1A1L3MBTL1 | |
| SCHEMBL20845697 | 0.78 | ALDH1A1 (0.55) | KMT2AHDAC8HDAC6ALDH1A1L3MBTL1 | |
| SCHEMBL20845698 | 0.78 | ALDH1A1 (0.55) | KMT2AHDAC8HDAC6ALDH1A1L3MBTL1 | |
| SCHEMBL140663 | 0.77 | CES1 (0.44) | CES1CES2AKR1B1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| JP-59036627-A | — | — | None | — | — | JP | disclosed |
| JP-S5936627-A | PREPARATION OF ISOBUTYLBENZENE | SANYO CHEM IND LTD | 1984-02-28 | — | — | JP | disclosed |