Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.68 |
| ▸ | MAPT | P10636 | 2/20 | 0.68 |
| ▸ | GAA | P10253 | 1/20 | 0.68 |
| ▸ | HTT | P42858 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.60 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | HTR1A | P08908 | 1/20 | 0.53 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.53 |
| ▸ | DRD4 | P21917 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | CYP2A13 | Q16696 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6032141 | 0.84 | ALDH1A1 (0.73) | ALDH1A1KDM4EMAPTGAAHTT | |
| SCHEMBL6031004 | 0.84 | ALDH1A1 (0.78) | ALDH1A1KDM4EMAPTGAAHTT | |
| SCHEMBL6031039 | 0.83 | ALDH1A1 (0.71) | ALDH1A1KDM4EMAPTGAAHTT | |
| Bromide SCHEMBL6030909 | 0.79 | ALDH1A1 (0.73) | ALDH1A1KDM4EMAPTGAAHTT | |
| SCHEMBL6031583 | 0.78 | KDM4E (0.62) | ALDH1A1KDM4EMAPTLMNASIGMAR1 | |
| SCHEMBL6030939 | 0.78 | ALDH1A1 (0.79) | ALDH1A1KDM4EMAPTGAAHTT | |
| SCHEMBL8092355 | 0.78 | DRD4 (0.65) | ALDH1A1KDM4EMAPTLMNASIGMAR1 | |
| SCHEMBL5541696 | 0.78 | KDM4E (0.78) | ALDH1A1KDM4EMAPTGAAHTT | |
| SCHEMBL5541685 | 0.78 | KDM4E (0.78) | ALDH1A1KDM4EMAPTGAAHTT | |
| SCHEMBL11360607 | 0.78 | SIGMAR1 (0.85) | ALDH1A1KDM4EMAPTGAAHTT |
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-20040083447-A1 | 1-Phenyl-4-benzylpiperazines dopamine receptor subtype specific ligands | NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE | 2004-04-29 | — | — | US | claimed |