Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | DCTPP1 | Q9H773 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.36 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 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 | |
|---|---|---|---|---|
| SCHEMBL17058078 | 0.88 | HTR1A (0.35) | NPC1RAB9ASMN1; SMN2LMNAPOLB | |
| SCHEMBL17058083 | 0.88 | HTR1A (0.35) | NPC1RAB9ASMN1; SMN2LMNAPOLB | |
| SCHEMBL17058197 | 0.88 | SMN1; SMN2 (0.43) | NPC1RAB9ASMN1; SMN2LMNAPOLB | |
| SCHEMBL17058099 | 0.86 | RAB9A (0.50) | NPC1RAB9ASMN1; SMN2LMNAPOLB | |
| SCHEMBL17057998 | 0.86 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2LMNAPOLB | |
| SCHEMBL17058255 | 0.82 | NPC1 (0.43) | NPC1RAB9ASMN1; SMN2LMNAPOLB | |
| SCHEMBL17057838 | 0.78 | TP53 (0.43) | SMN1; SMN2POLBALDH1A1DCTPP1MAPT | |
| SCHEMBL11945824 | 0.78 | HTR1A (0.43) | NPC1RAB9ASMN1; SMN2POLBKMT2A | |
| SCHEMBL17058279 | 0.77 | SLC2A1 (0.36) | LMNAKMT2AALDH1A1NPBWR1HTR1A | |
| SCHEMBL11945848 | 0.77 | POLB (0.59) | SMN1; SMN2LMNAPOLBKMT2AALDH1A1 |
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-2137179-B1 | PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS | MERCK SHARP & DOHME (US) | 2015-09-02 | — | — | EP | disclosed |