Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11337847 | 1.00 | MEN1 (0.43) | MEN1KMT2ACYP19A1FFAR1FFAR4 | |
| SCHEMBL2154210 | 0.86 | SMN1; SMN2 (0.49) | CYP19A1FFAR1SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL8764227 | 0.84 | MEN1 (0.52) | MEN1KMT2AFFAR1FFAR4ALDH1A1 | |
| SCHEMBL28248440 | 0.82 | CYP19A1 (0.46) | CYP19A1FFAR1SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL28248935 | 0.82 | CYP19A1 (0.46) | CYP19A1FFAR1SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL14027044 | 0.78 | SMN1; SMN2 (0.44) | CYP19A1FFAR1SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL5534668 | 0.78 | CYP19A1 (0.43) | CYP19A1FFAR1SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL3987067 | 0.78 | CYP19A1 (0.43) | CYP19A1FFAR1SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL5728797 | 0.78 | CYP19A1 (0.43) | CYP19A1FFAR1SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL30252315 | 0.78 | CYP19A1 (0.43) | CYP19A1FFAR1SMN1; SMN2ALDH1A1MAPT |
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-114436890-B | Synthetic method of 3-amino-2-indene carbonitrile compound | 中国科学院大连化学物理研究所 | 2023-04-14 | — | — | CN | disclosed |
| CN-114436890-A | Synthetic method of 3-amino-2-indene formonitrile compound | 中国科学院大连化学物理研究所 | 2022-05-06 | — | — | CN | disclosed |