Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | UBE2N | P61088 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HTR6 | P50406 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4625857 | 0.76 | ALOX5 (0.41) | ALDH1A1CYP2A6 | |
| SCHEMBL4626754 | 0.69 | KDM4E (0.46) | ALDH1A1TSHRNPC1RAB9ANPSR1 | |
| SCHEMBL11886360 | 0.66 | MAOA (0.37) | ALDH1A1TSHRNPC1RAB9ANPSR1 | |
| SCHEMBL17399090 | 0.62 | MYLK (0.38) | ALDH1A1NPC1RAB9ANPSR1KDM4E | |
| SCHEMBL3743379 | 0.62 | DRD2 (0.39) | ALDH1A1NPC1RAB9AKDM4ECYP2A6 | |
| SCHEMBL11886351 | 0.62 | MAOA (0.33) | ALDH1A1NPC1RAB9AKDM4ETHRB | |
| SCHEMBL3731249 | 0.62 | ALOX5 (0.35) | ALDH1A1NPC1RAB9AKDM4ECYP2A6 | |
| SCHEMBL27645758 | 0.61 | BCHE (0.39) | ALDH1A1TSHRNPC1RAB9AKDM4E | |
| SCHEMBL4625872 | 0.61 | KDM4E (0.33) | ALDH1A1NPC1RAB9AKDM4EKMT2A | |
| SCHEMBL24136320 | 0.61 | TTR (0.31) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101394830-A | Cosmetic agents comprising purine and/or purine derivatives I | HENKEL KGAA (DE) | 2009-03-25 | — | — | CN | disclosed |