Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | GALR3 | O60755 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL30669699 | 1.00 | CYP19A1 (0.40) | CYP19A1FFAR1ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL2154210 | 0.81 | SMN1; SMN2 (0.49) | CYP19A1FFAR1ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL16115312 | 0.81 | CYP19A1 (0.40) | CYP19A1FFAR1ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL27352331 | 0.81 | TSHR (0.42) | CYP19A1FFAR1ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL5035207 | 0.80 | CYP19A1 (0.42) | CYP19A1FFAR1ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL28607303 | 0.79 | ADH1B (0.36) | ALDH1A1TSHRLMNA | |
| SCHEMBL28248440 | 0.77 | CYP19A1 (0.46) | CYP19A1FFAR1ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL28248935 | 0.77 | CYP19A1 (0.46) | CYP19A1FFAR1ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL2561007 | 0.77 | ALDH1A1 (0.44) | FFAR1ALDH1A1MAPTHPGD | |
| SCHEMBL734897 | 0.77 | FFAR1 (0.40) | CYP19A1FFAR1ALDH1A1SMN1; SMN2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-117069720-A | 5-HT 2A Receptor agonist, preparation method and application thereof | 上海翊石医药科技有限公司 | 2023-11-17 | — | — | CN | disclosed |
| US-9994554-B2 | Barbiturate and thiobarbiturate compounds for use in cancer therapy | NUHOPE LLC (US) | 2018-06-12 | — | — | US | disclosed |