Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RET | P07949 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CCL2 | P13500 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8034520 | 0.86 | RET (0.39) | RETHTR2AHTR6CYP2D6KDM4E | |
| SCHEMBL186866 | 0.71 | HTR2A (0.41) | RETHTR2AHTR6CYP2D6KDM4E | |
| SCHEMBL4652559 | 0.71 | HTR2A (0.38) | RETHTR2AHTR6CYP2D6KDM4E | |
| SCHEMBL3404077 | 0.71 | HTR2A (0.38) | RETHTR2AHTR6CYP2D6KDM4E | |
| SCHEMBL5698322 | 0.70 | HTR2A (0.44) | RETHTR2AHTR6CYP2D6KDM4E | |
| Benzene SCHEMBL28389034 | 0.70 | SIGMAR1 (0.42) | RETHTR2AHTR6CYP2D6KDM4E | |
| SCHEMBL8511669 | 0.70 | HTR2A (0.40) | RETHTR2AHTR6CYP2D6KDM4E | |
| Bromide SCHEMBL28346507 | 0.70 | HTR2A (0.40) | RETHTR2AHTR6CYP2D6KDM4E | |
| SCHEMBL30122871 | 0.70 | HTR2A (0.40) | RETHTR2AHTR6CYP2D6KDM4E | |
| SCHEMBL4651586 | 0.70 | HTR2A (0.40) | RETHTR2AHTR6CYP2D6KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996013532-A1 | IN SITU DEHYDROXYLATION OF SUPPORTS AND PREPARATION OF SUPPORTED METALLOCENE POLYOLEFIN CATALYSTS | W.R. GRACE & CO.-CONN. (US) | 1996-05-09 | — | — | WO | claimed |
| WO-1996013532-A1 | IN SITU DEHYDROXYLATION OF SUPPORTS AND PREPARATION OF SUPPORTED METALLOCENE POLYOLEFIN CATALYSTS | W.R. GRACE & CO.-CONN. (US) | 1996-05-09 | — | — | WO | disclosed |