Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.64 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 11/20 | 0.43 |
| ▸ | TP53 | P04637 | 4/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 8/20 | 0.42 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.39 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.39 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| SCHEMBL21686045 | 0.94 | COMT (0.68) | COMTNPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL15019301 | 0.90 | COMT (0.79) | COMTNPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL3591312 | 0.85 | COMT (0.55) | COMTNPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL30471666 | 0.85 | COMT (0.55) | COMTNPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL20614242 | 0.82 | COMT (0.85) | COMTNPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL21388412 | 0.82 | COMT (0.52) | COMTNPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL30590323 | 0.81 | COMT (0.74) | COMTNPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL22578262 | 0.80 | COMT (0.70) | COMTNPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL26135190 | 0.79 | COMT (0.74) | COMTNPC1HPGDRAB9ASMN1; SMN2 | |
| Ammonia Solution, Strong SCHEMBL30590378 | 0.79 | COMT (0.73) | COMTNPC1HPGDRAB9ASMN1; SMN2 |
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-3604299-B1 | CHEMICAL COMPOUND USEFUL AS INTERMEDIATE FOR PREPARING A CATECHOL-0-METHYL TRANSFERASE INHIBITOR | BIAL PORTELA & CA SA (PT) | 2023-07-26 | — | — | EP | disclosed |
| EP-3604299-A1 | CHEMICAL COMPOUND USEFUL AS INTERMEDIATE FOR PREPARING A CATECHOL-0-METHYL TRANSFERASE INHIBITOR | Bial-Portela & CA, S.A. (PT) | 2020-02-05 | — | — | EP | disclosed |