Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APEX1 | P27695 | 1/20 | 0.55 |
| ▸ | NAMPT | P43490 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | MMP13 | P45452 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL29200010 | 1.00 | APEX1 (0.55) | APEX1NAMPTMEN1KMT2ACA1 | |
| SCHEMBL6848908 | 0.85 | SMN1; SMN2 (0.66) | NAMPTKMT2AALDH1A1MAPTLMNA | |
| SCHEMBL9543614 | 0.82 | MEN1 (0.67) | MEN1KMT2AALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL12172996 | 0.78 | HPGD (0.60) | APEX1NAMPTALDH1A1MAPTLMNA | |
| SCHEMBL27909695 | 0.78 | NPC1 (0.71) | MEN1KMT2ACA1CA2ALDH1A1 | |
| SCHEMBL2919972 | 0.77 | SMN1; SMN2 (0.82) | MEN1KMT2AALDH1A1RAB9ALMNA | |
| SCHEMBL5345421 | 0.76 | MMP13 (0.63) | MMP13LMNASMN1; SMN2HPGDROCK2 | |
| SCHEMBL5332860 | 0.76 | NPC1 (0.72) | APEX1MEN1KMT2ACA1CA2 | |
| SCHEMBL5213138 | 0.76 | PDE2A (0.52) | NAMPTALDH1A1MAPTLMNASMN1; SMN2 | |
| SCHEMBL7845677 | 0.75 | ABCB1 (0.48) | APEX1MEN1KMT2AALDH1A1MAPT |
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-112661661-B | Compounds having HSP90 inhibitory activity or pharmaceutically acceptable salts thereof and medical use thereof | 恩科森株式会社 | 2023-06-27 | — | — | CN | disclosed |