Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.47 |
| ▸ | TPMT | P51580 | 1/20 | 0.43 |
| ▸ | PAM | P19021 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | OXER1 | Q8TDS5 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28006954 | 0.89 | PDE5A (0.45) | PDE5ATPMTMAOAMAOBCYP1A2 | |
| SCHEMBL28090813 | 0.84 | PDE5A (0.42) | PDE5ATPMTCYP1A2CYP3A4CYP2C9 | |
| Acetone SCHEMBL8068256 | 0.82 | PAM (0.52) | PDE5APAMMAOBEGFRHDAC3 | |
| SCHEMBL28006634 | 0.82 | PDE5A (0.41) | PDE5APAMEGFRCYP1A2CYP3A4 | |
| SCHEMBL290446 | 0.81 | TTR (0.53) | PDE5ACYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL290447 | 0.81 | TTR (0.53) | PDE5ACYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL2817107 | 0.81 | TTR (0.53) | PDE5ACYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL2787514 | 0.81 | RARB (0.47) | PDE5ATSHRALDH1A1MEN1KMT2A | |
| SCHEMBL22082 | 0.80 | SIGMAR1 (0.50) | PAMMAOBEGFRHDAC3 | |
| SCHEMBL15573543 | 0.80 | SIGMAR1 (0.50) | PAMMAOBEGFRHDAC3 |
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-104428421-A | Process for using tobacco | KIND CONSUMER LTD | 2015-03-18 | — | — | CN | disclosed |