Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 8/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | MITF | O75030 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17962285 | 0.87 | COMT (0.67) | COMTKDM4ESMN1; SMN2LMNAHTT | |
| SCHEMBL30574426 | 0.87 | COMT (0.67) | COMTKDM4ESMN1; SMN2LMNAHTT | |
| SCHEMBL17962280 | 0.82 | COMT (0.64) | COMTKDM4ESMN1; SMN2LMNAHTT | |
| SCHEMBL17962294 | 0.78 | COMT (0.70) | COMTKDM4ESMN1; SMN2LMNAHTT | |
| SCHEMBL17962394 | 0.78 | COMT (0.68) | COMTKDM4ESMN1; SMN2LMNAHTT | |
| SCHEMBL17960010 | 0.78 | COMT (0.67) | COMTKDM4EALOX15 | |
| SCHEMBL17960029 | 0.78 | COMT (0.67) | COMTKDM4EALOX15 | |
| SCHEMBL17962392 | 0.78 | COMT (0.67) | COMTKDM4EALOX15 | |
| SCHEMBL17962292 | 0.77 | COMT (0.56) | COMTKDM4ESMN1; SMN2LMNAHTT | |
| SCHEMBL17962378 | 0.76 | COMT (0.69) | COMTKDM4ESMN1; SMN2LMNAHTT |
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-3250209-A1 | COMT INHIBITING METHODS AND COMPOSITIONS | Lieber Institute For Brain Development (US) | 2017-12-06 | — | — | EP | disclosed |
| WO-2016123576-A1 | COMT INHIBITING METHODS AND COMPOSITIONS | LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) | 2016-08-04 | — | — | WO | disclosed |