Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8867422 | 0.82 | NPSR1 (0.46) | CYP19A1MAOAMAOBNPSR1NPC1 | |
| SCHEMBL6770577 | 0.79 | CYP19A1 (0.52) | CYP19A1MAOAMAOBNPSR1NPC1 | |
| SCHEMBL13921161 | 0.77 | CYP19A1 (0.50) | CYP19A1MAOAMAOBNPSR1NPC1 | |
| SCHEMBL19921884 | 0.73 | NPSR1 (0.47) | CYP19A1MAOAMAOBNPSR1NPC1 | |
| SCHEMBL19915079 | 0.73 | NPSR1 (0.47) | CYP19A1MAOAMAOBNPSR1NPC1 | |
| SCHEMBL11435132 | 0.72 | CYP19A1 (0.54) | CYP19A1MAOAMAOBNPSR1NPC1 | |
| SCHEMBL10349539 | 0.71 | AKR1C3 (0.63) | CYP19A1MAOAMAOBNPSR1NPC1 | |
| SCHEMBL30529806 | 0.71 | AKR1C3 (0.63) | CYP19A1MAOAMAOBNPSR1NPC1 | |
| SCHEMBL10349537 | 0.71 | AKR1C3 (0.63) | CYP19A1MAOAMAOBNPSR1NPC1 | |
| SCHEMBL9065964 | 0.71 | SLC9A1 (0.54) | CYP19A1MAOAMAOBNPSR1NPC1 |
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-3983386-A1 | ACSS2 INHIBITORS AND METHODS OF USE THEREOF | Metabomed Ltd (IL) | 2022-04-20 | — | — | EP | disclosed |
| WO-2020230136-A1 | ACSS2 INHIBITORS AND METHODS OF USE THEREOF | METABOMED LTD (IL) | 2020-11-19 | — | — | WO | disclosed |