Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | MAPT | P10636 | 7/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | USP2 | O75604 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | CLK1 | P49759 | 1/20 | 0.47 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL28357002 | 0.82 | HSD17B10 (0.49) | ALDH1A1MAPTSMN1; SMN2GAANPC1 | |
| SCHEMBL12555393 | 0.82 | ALDH1A1 (0.49) | ALDH1A1MAPTSMN1; SMN2GAANPC1 | |
| SCHEMBL327581 | 0.81 | COMT (0.46) | ALDH1A1SMN1; SMN2NPC1RAB9AHSD17B10 | |
| SCHEMBL28357048 | 0.81 | TGFBR1 (0.57) | ALDH1A1MAPTSMN1; SMN2GAANPC1 | |
| SCHEMBL1747883 | 0.77 | ALDH1A1 (0.63) | ALDH1A1MAPTSMN1; SMN2GAANPC1 | |
| Ammonia Solution, Strong SCHEMBL17673846 | 0.76 | ALDH1A1 (0.61) | ALDH1A1MAPTSMN1; SMN2GAANPC1 | |
| SCHEMBL16433936 | 0.75 | COMT (0.50) | SMN1; SMN2NPC1RAB9AHSD17B10KDM4E | |
| SCHEMBL10668923 | 0.75 | NOS1 (0.62) | ALDH1A1MAPTSMN1; SMN2GAANPC1 | |
| SCHEMBL28902429 | 0.74 | MPL (0.55) | ALDH1A1MAPTSMN1; SMN2GAANPY5R | |
| SCHEMBL7835676 | 0.74 | TGFBR1 (0.57) | ALDH1A1MAPTSMN1; SMN2GAANPC1 |
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-105585565-B | - 4- thiazole the pyridine derivative of anilino- containing 2- and its preparation method and pharmaceutical composition and purposes | 中国医学科学院药物研究所 | 2019-10-01 | — | — | CN | disclosed |