Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL384400 | 1.00 | ALDH1A1 (0.54) | ALDH1A1TDP1L3MBTL1TSHRCYP3A4 | |
| SCHEMBL12659551 | 0.91 | ALDH1A1 (0.50) | ALDH1A1TDP1L3MBTL1TSHRCYP3A4 | |
| SCHEMBL383297 | 0.89 | LMNA (0.50) | TDP1L3MBTL1MAOBKMT2ARAB9A | |
| SCHEMBL382550 | 0.87 | FOLH1 (0.56) | ALDH1A1TDP1L3MBTL1MAOBKMT2A | |
| SCHEMBL4015321 | 0.86 | FOLH1 (0.55) | ALDH1A1TDP1L3MBTL1MAOBKMT2A | |
| SCHEMBL24983866 | 0.86 | ALDH1A1 (0.58) | ALDH1A1TDP1L3MBTL1TSHRCYP3A4 | |
| SCHEMBL23809724 | 0.85 | ALDH1A1 (0.62) | ALDH1A1TDP1L3MBTL1TSHRCYP3A4 | |
| Potassium Ion SCHEMBL4012442 | 0.85 | FOLH1 (0.53) | ALDH1A1TDP1L3MBTL1MAOBKMT2A | |
| SCHEMBL16586098 | 0.83 | ALDH1A1 (0.53) | ALDH1A1TDP1L3MBTL1TSHRCYP3A4 | |
| SCHEMBL7949182 | 0.83 | MAOB (0.59) | ALDH1A1TDP1L3MBTL1TSHRCYP3A4 |
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-119100970-A | Bivalent inhibitor based on heat shock protein 90 and preparation method and application thereof | 中国药科大学 | 2024-12-10 | — | — | CN | disclosed |