Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CRHBP | P24387 | 1/20 | 0.46 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.43 |
| ▸ | PBK | Q96KB5 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27645039 | 0.87 | ALDH1A1 (0.63) | ALDH1A1MAPTLMNACRHBPCRHR2 | |
| SCHEMBL7034471 | 0.81 | KHK (0.57) | KHKALDH1A1NPC1RAB9APOLB | |
| SCHEMBL279843 | 0.80 | ALDH1A1 (0.50) | KHKALDH1A1HPGDHTR4NPC1 | |
| SCHEMBL11493127 | 0.77 | KMT2A (0.55) | KHKALDH1A1MAPTLMNASMN1; SMN2 | |
| SCHEMBL31203024 | 0.76 | MAPT (0.77) | ALDH1A1MAPTLMNACRHBPCRHR2 | |
| SCHEMBL14862566 | 0.76 | ALDH1A1 (0.55) | ALDH1A1MAPTLMNAHPGDNPC1 | |
| SCHEMBL594263 | 0.76 | NPC1 (0.72) | ALDH1A1SMN1; SMN2L3MBTL1HTR4NPC1 | |
| SCHEMBL3114410 | 0.75 | ALDH1A1 (0.55) | ALDH1A1MAPTSMN1; SMN2HPGDNPC1 | |
| SCHEMBL31098668 | 0.73 | NPC1 (0.57) | ALDH1A1MAPTLMNACRHBPCRHR2 | |
| SCHEMBL34472995 | 0.73 | ALDH1A1 (0.57) | ALDH1A1MAPTLMNASMN1; SMN2L3MBTL1 |
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-109734700-A | SMO inhibitor of the piperidine structure containing benzoyl and preparation method thereof and purposes | 中国药科大学 | 2019-05-10 | — | — | CN | disclosed |