Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE9A | O76083 | 6/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | GPR3 | P46089 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.43 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 2/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | GABRP | O00591 | 1/20 | 0.43 |
| ▸ | GABRD | O14764 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 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 | |
|---|---|---|---|---|
| SCHEMBL2464667 | 1.00 | PDE9A (0.49) | PDE9AALDH1A1GPR3HSD17B10DRD2 | |
| SCHEMBL3676401 | 0.79 | AHR (0.57) | PDE9AALDH1A1GPR3HSD17B10PDE1C | |
| SCHEMBL16156592 | 0.78 | ALDH1A1 (0.44) | PDE9AALDH1A1GPR3HSD17B10DRD2 | |
| SCHEMBL8588245 | 0.78 | ALDH1A1 (0.50) | ALDH1A1GPR3HSD17B10DRD2DRD4 | |
| SCHEMBL20505152 | 0.78 | ALDH1A1 (0.44) | PDE9AALDH1A1GPR3HSD17B10DRD2 | |
| SCHEMBL9034264 | 0.78 | ALDH1A1 (0.44) | PDE9AALDH1A1GPR3HSD17B10DRD2 | |
| SCHEMBL2731190 | 0.78 | DRD2 (0.47) | PDE9AALDH1A1GPR3HSD17B10DRD2 | |
| SCHEMBL3680016 | 0.78 | AHR (0.55) | PDE9AALDH1A1GPR3HSD17B10DRD2 | |
| SCHEMBL1514832 | 0.78 | PDE9A (0.47) | PDE9AALDH1A1GPR3HSD17B10PDE1C | |
| SCHEMBL5858501 | 0.78 | PLA2G1B (0.59) | PDE9AALDH1A1GPR3HSD17B10PDE1C |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114671880-B | Synthesis and application of indole-2, 3-dinitrile antitumor compounds containing fatty amino | 大连理工大学 | 2023-06-06 | — | — | CN | claimed |
| CN-114671880-A | Synthesis and application of indole-2, 3-dinitrile antitumor compound containing aliphatic amino | 大连理工大学 | 2022-06-28 | — | — | CN | claimed |
| CN-114671880-B | Synthesis and application of indole-2, 3-dinitrile antitumor compounds containing fatty amino | 大连理工大学 | 2023-06-06 | — | — | CN | disclosed |
| CN-114671880-B | Synthesis and application of indole-2, 3-dinitrile antitumor compounds containing fatty amino | 大连理工大学 | 2023-06-06 | — | — | CN | disclosed |
| CN-114671880-B | Synthesis and application of indole-2, 3-dinitrile antitumor compounds containing fatty amino | 大连理工大学 | 2023-06-06 | — | — | CN | disclosed |
| CN-114671880-A | Synthesis and application of indole-2, 3-dinitrile antitumor compound containing aliphatic amino | 大连理工大学 | 2022-06-28 | — | — | CN | disclosed |
| CN-114671880-A | Synthesis and application of indole-2, 3-dinitrile antitumor compound containing aliphatic amino | 大连理工大学 | 2022-06-28 | — | — | CN | disclosed |
| CN-114671880-A | Synthesis and application of indole-2, 3-dinitrile antitumor compound containing aliphatic amino | 大连理工大学 | 2022-06-28 | — | — | CN | disclosed |