Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.50 |
| ▸ | F2 | P00734 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | THRA | P10827 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.49 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL27703695 | 0.88 | MRGPRX4 (0.57) | RAB9ASMN1; SMN2ALDH1A1LMNANPC1 | |
| SCHEMBL29557477 | 0.86 | HPGD (0.59) | RAB9ASMN1; SMN2LMNASMPD1HDAC1 | |
| SCHEMBL1599431 | 0.86 | HPGD (0.59) | RAB9ASMN1; SMN2LMNASMPD1HDAC1 | |
| SCHEMBL6949611 | 0.85 | MAOB (0.59) | RAB9ASMN1; SMN2ALDH1A1LMNASMPD1 | |
| SCHEMBL1990848 | 0.84 | SLC6A2 (0.57) | RAB9ASMN1; SMN2ALDH1A1LMNASMPD1 | |
| SCHEMBL8756076 | 0.84 | MRGPRX4 (0.61) | RAB9ASMN1; SMN2HDAC6GLRA1NPC1 | |
| SCHEMBL382703 | 0.83 | SMPD1 (0.59) | RAB9ASMN1; SMN2ALDH1A1LMNASMPD1 | |
| SCHEMBL31031135 | 0.82 | MRGPRX4 (0.56) | RAB9ASMN1; SMN2SMPD1HDAC1HDAC8 | |
| SCHEMBL7783922 | 0.82 | FFAR4 (0.60) | RAB9ASMN1; SMN2SMPD1HDAC1HDAC8 | |
| SCHEMBL3944668 | 0.82 | MRGPRX4 (0.59) | RAB9ASMN1; SMN2SMPD1HDAC1HDAC8 |
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-101583605-B | Triazole derivative as an HSP 90 inhibitor | MERCK PATENT GMBH | 2013-06-19 | — | — | CN | disclosed |
| CN-101583605-A | Triazole derivative as an HSP 90 inhibitor | MERCK PATENT GMBH (DE) | 2009-11-18 | — | — | CN | disclosed |