Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9828253 | 0.84 | CA2 (0.77) | ALDH1A1CA2GAACYP19A1TSHR | |
| SCHEMBL31457288 | 0.82 | ALDH1A1 (0.85) | ALDH1A1CA2GAACYP19A1TSHR | |
| SCHEMBL8142830 | 0.82 | ALDH1A1 (0.85) | ALDH1A1CA2GAACYP19A1TSHR | |
| 4,4'-Methylenedianiline SCHEMBL11059440 | 0.82 | ALDH1A1 (0.85) | ALDH1A1CA2GAACYP19A1TSHR | |
| SCHEMBL19039711 | 0.81 | GAA (0.65) | ALDH1A1CA2GAACYP19A1TSHR | |
| SCHEMBL1237469 | 0.80 | KDM4E (0.72) | CYP19A1TSHRCYP3A4KDM4EATM | |
| SCHEMBL21384111 | 0.80 | ALDH1A1 (0.50) | ALDH1A1CA2GAAHTT | |
| SCHEMBL110676 | 0.79 | MAPT (0.55) | ALDH1A1GAACYP19A1TSHRCYP3A4 | |
| Hydrochloric Acid SCHEMBL5353436 | 0.79 | KDM4E (0.70) | CYP19A1TSHRCYP3A4KDM4EATM | |
| SCHEMBL943423 | 0.78 | KDM4E (0.53) | ALDH1A1CA2TSHRCYP3A4KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-117924169-A | Dihydroquinoline derivative and pharmaceutical application thereof in resisting influenza | 山东大学齐鲁医院 | 2024-04-26 | — | — | CN | disclosed |