Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.64 |
| ▸ | MAOA | P21397 | 2/20 | 0.52 |
| ▸ | MAOB | P27338 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL575895 | 1.00 | ALDH1A1 (0.64) | ALDH1A1MAPK1MAOAMAOBMAPT | |
| Fluoride SCHEMBL27793289 | 0.98 | ALDH1A1 (0.61) | ALDH1A1MAPK1MAOAMAOBMAPT | |
| Ammonia Solution, Strong SCHEMBL19133464 | 0.98 | ALDH1A1 (0.61) | ALDH1A1MAPK1MAOAMAOBMAPT | |
| Fluoride SCHEMBL943089 | 0.98 | ALDH1A1 (0.61) | ALDH1A1MAPK1MAOAMAOBMAPT | |
| SCHEMBL23289811 | 0.96 | ALDH1A1 (0.58) | ALDH1A1MAPK1MAOAMAOBMAPT | |
| Hydrochloric Acid SCHEMBL27772312 | 0.96 | ALDH1A1 (0.58) | ALDH1A1MAPK1MAOAMAOBMAPT | |
| SCHEMBL2860864 | 0.93 | ALDH1A1 (0.61) | ALDH1A1MAPK1MAOAMAOBCYP1A2 | |
| SCHEMBL7151793 | 0.92 | ALDH1A1 (0.54) | ALDH1A1MAPK1MAOAMAOBMAPT | |
| SCHEMBL5694452 | 0.91 | ALDH1A1 (0.58) | ALDH1A1MAPK1KDM4EHDAC3HDAC4 | |
| SCHEMBL8082721 | 0.91 | ALDH1A1 (0.58) | ALDH1A1MAPK1KDM4EHDAC3HDAC4 |
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-20090045725-A1 | POLYARYLENE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-02-19 | — | — | US | disclosed |