Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 10/20 | 0.57 |
| ▸ | MAOA | P21397 | 7/20 | 0.57 |
| ▸ | TACR2 | P21452 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | TLR4 | O00206 | 1/20 | 0.46 |
| ▸ | TLR2 | O60603 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.43 |
| ▸ | CCR5 | P51681 | 2/20 | 0.43 |
| ▸ | PLAT | P00750 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29690200 | 1.00 | MAOB (0.57) | MAOBMAOATACR2L3MBTL1ALDH1A1 | |
| SCHEMBL31384354 | 0.89 | TACR2 (0.55) | MAOBMAOATACR2L3MBTL1ALDH1A1 | |
| SCHEMBL30823523 | 0.85 | MAOB (0.65) | MAOBMAOAALDH1A1CYP1A2TLR4 | |
| SCHEMBL16990010 | 0.85 | MAOB (0.65) | MAOBMAOAALDH1A1CYP1A2TLR4 | |
| SCHEMBL13321706 | 0.84 | MAOB (0.55) | MAOBMAOAAPPNR4A2CCR5 | |
| SCHEMBL3639311 | 0.84 | NPC1 (0.66) | MAOBMAOAALDH1A1TLR4TLR2 | |
| SCHEMBL18001687 | 0.79 | MAOB (0.47) | MAOBMAOATACR2L3MBTL1ALDH1A1 | |
| SCHEMBL18002178 | 0.79 | MAOB (0.47) | MAOBMAOATACR2L3MBTL1ALDH1A1 | |
| SCHEMBL18002505 | 0.79 | MAOB (0.47) | MAOBMAOATACR2L3MBTL1ALDH1A1 | |
| SCHEMBL8985612 | 0.79 | MAOB (0.74) | MAOBMAOATACR2TLR4TLR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114671815-B | Aryl barbiturates compound and preparation method and application thereof | 中国医学科学院药物研究所 | 2024-05-14 | — | — | CN | disclosed |
| CN-117430570-A | Rhodamine acetic acid compound, and pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2024-01-23 | — | — | CN | disclosed |
| CN-114671815-A | Aryl barbiturates compound and preparation method and application thereof | 中国医学科学院药物研究所 | 2022-06-28 | — | — | CN | disclosed |