Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 9/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL17962333 | 0.83 | KDM4E (0.58) | COMTALDH1A1HPGDKDM4EKMT2A | |
| SCHEMBL17962316 | 0.78 | COMT (0.56) | COMTALDH1A1KDM4EMAPTSMN1; SMN2 | |
| SCHEMBL25408540 | 0.78 | COMT (0.56) | COMTALDH1A1KDM4EMAPTSMN1; SMN2 | |
| SCHEMBL7684587 | 0.72 | KDM4E (0.64) | COMTALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL17960016 | 0.72 | COMT (0.69) | COMTALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL17962266 | 0.71 | ALDH1A1 (0.62) | COMTALDH1A1HPGDKDM4EKMT2A | |
| SCHEMBL17962325 | 0.70 | COMT (1.00) | COMTALDH1A1KDM4ESMN1; SMN2TDP1 | |
| SCHEMBL17960013 | 0.69 | COMT (1.00) | COMTALDH1A1KDM4EMAPTTDP1 | |
| SCHEMBL7689814 | 0.68 | COMT (0.57) | COMTALDH1A1KDM4EMAPTSMN1; SMN2 | |
| SCHEMBL17962259 | 0.68 | KDM4E (0.63) | COMTHSD17B10ALDH1A1KDM4EMAPT |
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-3250209-B1 | COMT INHIBITING METHODS AND COMPOSITIONS | LIEBER INST FOR BRAIN DEVELOPMENT (US) | 2023-09-13 | — | — | EP | claimed |