Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 3/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29676249 | 0.84 | CES1 (0.39) | MAOAMAOBCES1HPGDL3MBTL1 | |
| SCHEMBL3175261 | 0.81 | MAOA (0.45) | MAOAMAOBCES1HPGDCYP2A6 | |
| SCHEMBL29791118 | 0.81 | MAOA (0.45) | MAOAMAOBCES1HPGDCYP2A6 | |
| SCHEMBL28736027 | 0.76 | MAOA (0.53) | MAOAMAOBCES1HPGDCYP2A6 | |
| SCHEMBL23704955 | 0.74 | METAP1 (0.41) | MAOAMAOBL3MBTL1MAPT | |
| SCHEMBL17802121 | 0.74 | METAP1 (0.45) | L3MBTL1MAPT | |
| SCHEMBL66102 | 0.73 | CES1 (0.54) | MAOAMAOBCES1HPGDL3MBTL1 | |
| SCHEMBL29370260 | 0.73 | CES1 (0.54) | MAOAMAOBCES1HPGDL3MBTL1 | |
| SCHEMBL8262 | 0.73 | TSHR (0.46) | MAOAMAOBCYP2A6TSHR | |
| SCHEMBL29385689 | 0.73 | TSHR (0.46) | MAOAMAOBCYP2A6TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022204150-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS | BLUE OAK PHARMACEUTICALS, INC. (US) | 2022-09-29 | — | — | WO | disclosed |