Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | REN | P00797 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 7/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28274309 | 0.82 | HRH3 (0.38) | MEN1KMT2ASLC6A4OPRD1SLC6A2 | |
| SCHEMBL27484196 | 0.79 | MEN1 (0.54) | MEN1KMT2ASLC6A4OPRD1SLC6A2 | |
| SCHEMBL28013093 | 0.78 | HRH3 (0.43) | — | |
| SCHEMBL27649776 | 0.77 | KCNA3 (0.35) | — | |
| SCHEMBL27838278 | 0.77 | CYP2D6 (0.41) | KCNH2 | |
| SCHEMBL27838235 | 0.76 | LTA4H (0.37) | MEN1KMT2ASLC6A4ADRB1SLC6A2 | |
| SCHEMBL27930040 | 0.73 | KCNA3 (0.36) | KMT2AKCNH2 | |
| Methane SCHEMBL28241933 | 0.73 | KCNA3 (0.41) | OPRD1OPRM1 | |
| SCHEMBL27625371 | 0.72 | DPP4 (0.36) | SLC6A2SLC6A3KCNH2OPRM1 | |
| SCHEMBL28762467 | 0.71 | CYP2D6 (0.37) | MEN1KMT2AOPRD1SLC6A3KCNH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103030653-A | Heteroarylopyrimidine derivative, medicinal salt thereof, methods for preparing heteroarylopyrimidine derivative and medicinal salt thereof and medical applications of heteroarylopyrimidine derivative and medicinal salt thereof | SHANGHAI HENGRUI PHARM CO LTD | 2013-04-10 | — | — | CN | disclosed |
| CN-102372706-A | Phthalazinone derivative, its preparation method and application in medicament | JIANGSU HENGRUI MEDICINE CO | 2012-03-14 | — | — | CN | disclosed |