Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.50 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.50 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7929531 | 0.98 | KMT2A (0.49) | KMT2ACYP1A2SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL138281 | 0.93 | KMT2A (0.56) | KMT2ACYP1A2SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL27757196 | 0.93 | KMT2A (0.56) | KMT2ACYP1A2SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL138280 | 0.93 | KMT2A (0.56) | KMT2ACYP1A2SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL1706675 | 0.93 | KMT2A (0.56) | KMT2ACYP1A2SLC1A3SLC1A2SLC1A1 | |
| Hydrochloric Acid SCHEMBL7686303 | 0.91 | KMT2A (0.54) | KMT2ACYP1A2SLC1A3SLC1A2SLC1A1 | |
| Hydrochloric Acid SCHEMBL8687505 | 0.91 | KMT2A (0.54) | KMT2ACYP1A2SLC1A3SLC1A2SLC1A1 | |
| Hydrochloric Acid SCHEMBL8687912 | 0.91 | KMT2A (0.54) | KMT2ACYP1A2SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL7924569 | 0.88 | KMT2A (0.49) | KMT2ACYP1A2SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL3260466 | 0.83 | GAA (0.57) | CYP1A2CYP2C9CYP2C19LMNATSHR |
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-6300522-B1 | CONDENSING 2-CHLOROALKANOIC ACID WITH OPTIONALLY SUBSTITUTED BENZYL ALCOHOL TO FORM 2-BENZYLOXYALKANOIC ACID, CONVERTING TO ACID CHLORIDE, REACTING WITH GRIGNARD REAGENT IN PRESENCE OF CUPROUS COMPOUND, HYDROGENATING TO REMOVE BENZYL GROUP | AVECIA LIMITED (GB) | 2001-10-09 | — | — | US | disclosed |