Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | EED | O75530 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL15436231 | 0.76 | ACHE (0.42) | ACHEALDH1A1LMNARAB9ANPSR1 | |
| SCHEMBL451920 | 0.76 | PTGS2 (0.45) | ACHEALDH1A1LMNANPSR1HTT | |
| SCHEMBL2487626 | 0.73 | CYP46A1 (0.51) | ALDH1A1LMNAHSD17B10MAPK1MAPT | |
| SCHEMBL4220977 | 0.71 | CDC7 (0.56) | ALDH1A1LMNACLK4MAPTHPGD | |
| SCHEMBL517 | 0.70 | SLC6A3 (0.50) | ACHEALDH1A1LMNARAB9ACYP1A2 | |
| SCHEMBL3291794 | 0.69 | CA1 (0.53) | ALDH1A1LMNARAB9AHTTMAPT | |
| SCHEMBL9709560 | 0.68 | CD38 (0.50) | RAB9AHTTSMN1; SMN2KDM4EMEN1 | |
| SCHEMBL27791830 | 0.68 | CYP2C19 (0.47) | RAB9AHTTSMN1; SMN2KDM4EMEN1 | |
| SCHEMBL1069726 | 0.66 | FOLH1 (0.47) | ACHEALDH1A1MEN1KMT2A | |
| SCHEMBL4220608 | 0.66 | ADRA1A (0.46) | ALDH1A1HSD17B10CLK4HPGDKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2410857-B1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | MERCK SHARP & DOHME (US) | 2014-01-29 | — | — | EP | disclosed |