Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 6/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.61 |
| ▸ | NPC1 | O15118 | 4/20 | 0.61 |
| ▸ | RAB9A | P51151 | 4/20 | 0.61 |
| ▸ | MEN1 | O00255 | 4/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.61 |
| ▸ | PARP1 | P09874 | 1/20 | 0.55 |
| ▸ | MAOA | P21397 | 3/20 | 0.54 |
| ▸ | MAOB | P27338 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.50 |
| ▸ | FLT1 | P17948 | 1/20 | 0.49 |
| ▸ | FLT4 | P35916 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL23931574 | 0.92 | PARP1 (0.63) | KMT2ASMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL17187940 | 0.92 | PARP1 (0.63) | KMT2ASMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL54859 | 0.92 | PARP1 (0.63) | KMT2ASMN1; SMN2NPC1RAB9AMEN1 | |
| Ethylene SCHEMBL27342996 | 0.88 | PARP1 (0.59) | KMT2ASMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL27759980 | 0.85 | PARP1 (0.55) | KMT2ASMN1; SMN2NPC1RAB9AMEN1 | |
| Acetophenone SCHEMBL28272280 | 0.84 | KMT2A (0.56) | KMT2ASMN1; SMN2NPC1RAB9AMEN1 | |
| Acetophenone SCHEMBL25304274 | 0.84 | CES2 (0.68) | KMT2ASMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL75640 | 0.83 | MAPT (0.69) | KMT2ASMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL17187946 | 0.83 | MAPT (0.69) | KMT2ASMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL28193245 | 0.83 | MAPT (0.69) | KMT2ASMN1; SMN2NPC1RAB9AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2529388-A1 | FRAGMENTATION REAGENTS FOR MASS SPECTROMETRY | Micromass UK Limited (GB) | 2012-12-05 | — | — | EP | claimed |
| WO-2011092515-A1 | FRAGMENTATION REAGENTS FOR MASS SPECTROMETRY | MICROMASS UK LIMITED (GB) | 2011-08-04 | — | — | WO | claimed |