Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11820426 | 0.79 | CNR2 (0.50) | ALDH1A1LMNACYP2A6MAPTTDP1 | |
| SCHEMBL30435190 | 0.79 | CNR2 (0.50) | ALDH1A1LMNACYP2A6MAPTTDP1 | |
| SCHEMBL28049107 | 0.75 | KDM4E (0.37) | ALDH1A1MAPTTDP1USP2THRB | |
| SCHEMBL1465854 | 0.72 | CYP2A6 (0.53) | ALDH1A1CYP2A6KEAP1MAPTTDP1 | |
| SCHEMBL24524235 | 0.70 | ALDH1A1 (0.67) | ALDH1A1LMNAMAPTTDP1KDM4E | |
| SCHEMBL31289515 | 0.67 | ALDH1A1 (0.51) | ALDH1A1LMNAMAPTTDP1USP2 | |
| SCHEMBL6019304 | 0.66 | CYP2A6 (0.63) | ALDH1A1CYP2A6KEAP1MAPTTDP1 | |
| SCHEMBL10172983 | 0.66 | CYP2A6 (0.63) | ALDH1A1LMNACYP2A6KEAP1MAPT | |
| SCHEMBL1465598 | 0.65 | CYP2A6 (0.52) | ALDH1A1CYP2A6KEAP1MAPTTDP1 | |
| SCHEMBL399431 | 0.64 | ALDH1A1 (1.00) | ALDH1A1LMNAMAPTMEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113845461-A | 4- (2-adamantane-1H-indol-5-yl) semicarbazide derivative and preparation method and application thereof | 浙江师范大学行知学院 | 2021-12-28 | — | — | CN | claimed |
| CN-113845461-B | 4- (2-adamantane-1H-indol-5-yl) semicarbazide derivative and preparation method and application thereof | 浙江师范大学行知学院 | 2023-06-20 | — | — | CN | disclosed |
| CN-113845461-A | 4- (2-adamantane-1H-indol-5-yl) semicarbazide derivative and preparation method and application thereof | 浙江师范大学行知学院 | 2021-12-28 | — | — | CN | disclosed |
| CN-105348168-A | 1-(2-(adamantane-1-yl)-1H-indole-5-yl)-3-substituted urea derivative, preparation and use thereof | UNIV XIAMEN | 2016-02-24 | — | — | CN | disclosed |