Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30882027 | 0.81 | CA1 (0.59) | ALDH1A1ALOX15HSD17B10CA1CA2 | |
| SCHEMBL10452807 | 0.74 | MAOA (0.57) | ALDH1A1HSD17B10CA1CA2LMNA | |
| SCHEMBL11552940 | 0.74 | ADORA2A (0.51) | ALDH1A1ALOX15HSD17B10CA1CA2 | |
| SCHEMBL12679823 | 0.70 | KCNA3 (0.47) | ALDH1A1ALOX15HSD17B10KCNA3LMNA | |
| SCHEMBL18411452 | 0.70 | TSHR (0.46) | ALDH1A1ALOX15HSD17B10CA1CA2 | |
| SCHEMBL31112830 | 0.69 | ADORA2A (0.47) | ALDH1A1ALOX15HSD17B10CA1CA2 | |
| SCHEMBL23427741 | 0.68 | ADORA2A (0.38) | ALDH1A1ALOX15HSD17B10CA1CA2 | |
| SCHEMBL565466 | 0.68 | ESR2 (0.50) | ALDH1A1CA1CA2LMNAMAPT | |
| SCHEMBL15842734 | 0.67 | GPR35 (0.39) | ALDH1A1CA1CA2LMNAHTT | |
| SCHEMBL11622456 | 0.67 | ESR2 (0.39) | ALDH1A1ALOX15HSD17B10MAPTMEN1 |
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-121574086-B | Dicyano-isophorone derivative, preparation method thereof and application of dicyano-isophorone derivative as near infrared fluorescent probe for detecting COX-2 | BINZHOU MEDICAL UNIVERSITY (CN) | 2026-05-26 | — | — | CN | disclosed |
| CN-121574086-A | Dicyano-isophorone derivative, preparation method thereof and application of dicyano-isophorone derivative as near infrared fluorescent probe for detecting COX-2 | 滨州医学院 | 2026-02-27 | — | — | CN | disclosed |